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Dichlorophen
CAS: 97-23-4 | C13H10Cl2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-23-4
Molecular Formula:
C13H10Cl2O2
Molecular Weight:
269.127 g/mol
Names and Synonyms:
Dichlorophen
Dichlorphen
Xanbac
4,4′-Dichloro-2,2′-methylenediphenol
M 213
M 213 (biocide)
Diclorofen
NSC 39467
NSC 38642
Giv Gard G 4-40
Sandocide
Sindar G 4
Preventol
Palacel
Embephen
Vermithana
Halenol
Cordocel
Gingivit
Teniotol
Difentan
Antifen
Dichlorofen
Fungicide M
Fungicide GM
G 4 Technical
G 4 Pure
Gefir
Bis(chlorohydroxyphenyl)methane
Plath-Lyse
Hyosan
Di(5-Chloro-2-hydroxyphenyl)methane
Dichlorophene 10
Preventol GD
Diphenthane 70
Teniatol
Teniathane
Taeniatol
Preventol GDC
Prevental
Panacide
Korium
Diphentane 70
2,2′-Dihydroxy-5,5′-dichlorodiphenylmethane
Didroxane
Didroxan
Dichlorophene
Dichlorophen
Dichlorophen B
5,5′-Dichloro-2,2′-dihydroxydiphenylmethane
Dicestal
DDM
DDDM
Bis(2-hydroxy-5-chlorophenyl)methane
Bis(5-chloro-2-hydroxyphenyl)methane
Anthiphen
G 4
2,2′-Methylenebis[4-chlorophenol]
Phenol, 2,2′-methylenebis[4-chloro-
Identifiers:
SMILES:
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
InChI:
InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 269.13 g/mol | Legacy Database |
| cas-canonical-smile | ClC1=CC=C(O)C(=C1)CC2=CC(Cl)=CC=C2O None | Legacy Database |
| cas-inchi | InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MDNWOSOZYLHTCG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 177-178 °C None | Legacy Database |
| cas-name | Dichlorophen None | Legacy Database |
| LogP | 3.9954000000000023 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 269.127 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 268.00578492 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 69.03960000000002 | RDKit |
