| CAS Number | 1231244-85-1 |
| Catalog Number | AG00HH6G |
| Chemical Name | 2-(5-bromo-2-methylphenyl)acetonitrile |
| IUPAC Name | 2-(5-bromo-2-methylphenyl)acetonitrile |
| InChI | InChI=1S/C9H8BrN/c1-7-2-3-9(10)6-8(7)4-5-11/h2-3,6H,4H2,1H3 |
| InChI Key | CNMZUCWQQWFUML-UHFFFAOYSA-N |
| MDL Number | MFCD18392231 |
| Molecular Formula | C9H8BrN |
| Molecular Weight | 210.0705 |
| SMILES | BrC=1C=CC(=C(C1)CC#N)C |
| Synonyms | 1231244-85-1,
5-BROMO-2-METHYLPHENYLACETONITRILE,
2-(5-BROMO-2-METHYLPHENYL)ACETONITRILE,
SCHEMBL15820796,
CNMZUCWQQWFUML-UHFFFAOYSA-N,
CL9129,
MFCD18392231,
ZINC83593235,
AKOS022186309,
ACN-052092,
FCH1370402,
AS-46216,
BBV-40246509,
AJ-126021,
EN300-224629,
X-3618,
Z2235810120,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.074g/mol |
| Monoisotopic Mass | 208.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number