| CAS Number | 1021871-36-2 |
| Catalog Number | AG009LWS |
| Chemical Name | 3-(Bromomethyl)-5-chlorobenzonitrile |
| IUPAC Name | 3-(bromomethyl)-5-chlorobenzonitrile |
| InChI | InChI=1S/C8H5BrClN/c9-4-6-1-7(5-11)3-8(10)2-6/h1-3H,4H2 |
| InChI Key | WITIYKYPUAHWTR-UHFFFAOYSA-N |
| MDL Number | MFCD18392462 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | ClC1=CC(C#N)=CC(CBr)=C1 |
| Synonyms | 3-(bromomethyl)-5-chlorobenzonitrile,
1021871-36-2,
SCHEMBL408730,
3-Chloro-5-cyanobenzyl bromide,
WITIYKYPUAHWTR-UHFFFAOYSA-N,
3-Bromomethyl-5-chloro-benzonitrile,
ZINC113763466,
DA-16246,
FT-0751939,
|
| 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
Certificate of Analysis
Lot Number