| CAS Number | 50712-67-9 |
| Catalog Number | AG00390F(AGN-PC-0WNTYH) |
| Chemical Name | 2-(bromomethyl)-4-chlorobenzonitrile |
| IUPAC Name | 2-(bromomethyl)-4-chlorobenzonitrile |
| InChI | InChI=1S/C8H5BrClN/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4H2 |
| InChI Key | FKNQHVPLFJLZEV-UHFFFAOYSA-N |
| MDL Number | MFCD11847520 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | BrCC1=C(C#N)C=CC(=C1)Cl |
| Synonyms | 2-(BROMOMETHYL)-4-CHLOROBENZONITRILE,
50712-67-9,
2-bromomethyl-4-chloro-benzonitrile,
SCHEMBL584071,
5-Chloro-2-cyanobenzyl bromide,
FKNQHVPLFJLZEV-UHFFFAOYSA-N,
MFCD11847520,
ZINC39261977,
AKOS022657559,
4-Chloro-2-(bromo-methyl)-benzonitrile,
DA-05375,
CS-0060106,
FT-0730771,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.489g/mol |
| Monoisotopic Mass | 228.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number