| CAS Number | 53731-99-0 |
| Catalog Number | AG00DCLA(AGN-PC-0SFVWY) |
| Chemical Name | (R)-2-Bromo-2-(4-chlorophenyl)acetonitrile |
| IUPAC Name | 2-bromo-2-(4-chlorophenyl)acetonitrile |
| InChI | InChI=1S/C8H5BrClN/c9-8(5-11)6-1-3-7(10)4-2-6/h1-4,8H |
| InChI Key | AKYZXEVLLDNHDZ-UHFFFAOYSA-N |
| MDL Number | MFCD06255192 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | ClC1=CC=C(C(C#N)Br)C=C1 |
| Synonyms | 53731-99-0,
2-bromo-2-(4-chlorophenyl)acetonitrile,
(R)-2-Bromo-2-(4-chlorophenyl)acetonitrile,
(R)-alpha-Bromo-alpha-(4-chloro-phenyl)acetonitrile,
SCHEMBL4066426,
CTK8F2032,
Bromo(4-chlorophenyl)acetonitrile,
DTXSID80569802,
AKYZXEVLLDNHDZ-UHFFFAOYSA-N,
4-chlorophenyl-alpha-bromoacetonitrile,
bromo-(4-chloro-phenyl)-acetonitrile,
AKOS023912703,
alpha-Bromo-4-chlorobenzeneacetonitrile,
FCH1835726,
BBV-45274100,
A18868,
EN300-300122,
81885-30-5,
5-Chloro-2-methylbenzamide,
|
| Complexity | 166 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number