Back to Search
9-(Chloromethyl)Anthracene
CAS: 24463-19-2 | C15H11Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24463-19-2
Molecular Formula:
C15H11Cl
Molecular Mass:
226.71 g/mol
Names and Synonyms:
9-(Chloromethyl)Anthracene
Anthracene, 9-(chloromethyl)-
9-(Chloromethyl)anthracene
9-Anthracenylmethyl chloride
NSC 241165
Identifiers:
SMILES:
ClCc1c2ccccc2cc2ccccc12
InChI:
InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
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 | 226.71 g/mol | CAS Common Chemistry |
| 226.706 g/mol | RDKit | |
| 226.054928032 g/mol | RDKit | |
| Canonical SMILES | ClCC=1C=2C=CC=CC2C=C3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PCVRSXXPGXRVEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 9-(Chloromethyl)anthracene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.7318000000000024 | RDKit |
| Molar Refractivity | 71.01100000000004 | RDKit |
