| CAS Number | 83311-25-5 |
| Catalog Number | AG00GMZ2(AGN-PC-03RVO9) |
| Chemical Name | 4-(Bromomethyl)-2-chlorobenzonitrile |
| IUPAC Name | 4-(bromomethyl)-2-chlorobenzonitrile |
| InChI | InChI=1S/C8H5BrClN/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2 |
| InChI Key | MOJPMYDXOHFFPF-UHFFFAOYSA-N |
| MDL Number | MFCD18392461 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | C1=CC(=C(C=C1CBr)Cl)C#N |
| Synonyms | 4-(Bromomethyl)-2-chlorobenzonitrile,
83311-25-5,
4-Bromomethyl-2-chloro-benzonitrile,
SCHEMBL2569992,
3-Chloro-4-cyanobenzyl bromide,
DTXSID40625933,
MOJPMYDXOHFFPF-UHFFFAOYSA-N,
4-Bromomethyl-2-chlorobenzonitrile,
MFCD18392461,
ZINC91690658,
AKOS027423166,
FCH1370494,
AS-30064,
Benzonitrile, 4-(bromomethyl)-2-chloro-,
CJ-22649,
FT-0746275,
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| 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
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Certificate of Analysis
Lot Number