| CAS Number | 1261618-06-7 |
| Catalog Number | AG01AG16 |
| Chemical Name | 2-(3-Bromo-4-methylphenyl)acetonitrile |
| IUPAC Name | 2-(3-bromo-4-methylphenyl)acetonitrile |
| InChI | InChI=1S/C9H8BrN/c1-7-2-3-8(4-5-11)6-9(7)10/h2-3,6H,4H2,1H3 |
| InChI Key | JZGKZDJFUXPZGW-UHFFFAOYSA-N |
| MDL Number | MFCD18392230 |
| Molecular Formula | C9H8BrN |
| Molecular Weight | 210.0705 |
| SMILES | CC1=C(Br)C=C(CC#N)C=C1 |
| Synonyms | 2-(3-bromo-4-methylphenyl)acetonitrile,
1261618-06-7,
SCHEMBL11811358,
ZINC83593238,
AKOS023061073,
FCH1370401,
MCULE-3415727127,
NE54367,
3-BROMO-4-METHYLPHENYLACETONITRILE,
BBV-40246508,
EN300-156754,
Z1770272987,
(3-Bromo-4-methylphenyl)acetonitrile,
|
| 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