| CAS Number | 64148-19-2 |
| Catalog Number | AG00EL67(AGN-PC-03TZA6) |
| Chemical Name | 2-Dichloromethylbenzonitrile |
| IUPAC Name | 2-(dichloromethyl)benzonitrile |
| InChI | InChI=1S/C8H5Cl2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H |
| InChI Key | WASRSQYJNVCGFU-UHFFFAOYSA-N |
| MDL Number | MFCD11499295 |
| Molecular Formula | C8H5Cl2N |
| Molecular Weight | 186.0380 |
| SMILES | ClC(C1=C(C#N)C=CC=C1)Cl |
| Synonyms | 2-Dichloromethylbenzonitrile,
64148-19-2,
o-Cyanbenzalchlorid,
2-(Dichloromethyl)benzonitrile,
SCHEMBL1343672,
CTK2A7114,
DTXSID50627903,
Benzonitrile, 2-(dichloromethyl)-,
MFCD11499295,
AKOS006323930,
ZINC100072305,
X8354,
C8H5Cl2N,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.035g/mol |
| Monoisotopic Mass | 184.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number