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4-Chlorobenzhydryl Chloride
CAS: 134-83-8 | C13H10Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
134-83-8
Molecular Formula:
C13H10Cl2
Molecular Mass:
237.13 g/mol
Names and Synonyms:
4-Chlorobenzhydryl Chloride
Benzene, 1-chloro-4-(chlorophenylmethyl)-
Chloro(p-chlorophenyl)phenylmethane
4-Chlorobenzhydryl chloride
p-Chlorobenzhydryl chloride
NSC 49126
Methane, chloro(p-chlorophenyl)phenyl-
1-Chloro-4-(chlorophenylmethyl)benzene
Identifiers:
SMILES:
Clc1ccc(C(Cl)c2ccccc2)cc1
InChI:
InChI=1S/C13H10Cl2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.13 g/mol | CAS Common Chemistry |
| 237.12900000000002 g/mol | RDKit | |
| 236.01595568 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(C=C1)C(Cl)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10Cl2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H | CAS Common Chemistry |
| InChI Key | InChIKey=ALKWTKGPKKAZMN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Chlorobenzhydryl chloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.668200000000003 | RDKit |
| Molar Refractivity | 65.59000000000003 | RDKit |
