| CAS Number | 457051-12-6 |
| Catalog Number | AG00DL7Y(AGN-PC-04X3P3) |
| Chemical Name | Benzonitrile, 4-broMo-2-(broMoMethyl)- |
| IUPAC Name | 4-bromo-2-(bromomethyl)benzonitrile |
| InChI | InChI=1S/C8H5Br2N/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4H2 |
| InChI Key | ULNJVDVXYVPGMB-UHFFFAOYSA-N |
| MDL Number | MFCD18390221 |
| Molecular Formula | C8H5Br2N |
| Molecular Weight | 274.9400 |
| SMILES | N#CC1=CC=C(Br)C=C1CBr |
| Synonyms | 4-bromo-2-(bromomethyl)benzonitrile,
457051-12-6,
Benzonitrile, 4-bromo-2-(bromomethyl)-,
SCHEMBL307884,
ULNJVDVXYVPGMB-UHFFFAOYSA-N,
4-Bromo-2-bromomethyl-benzonitrile,
MFCD18390221,
ZINC96300663,
FCH1369026,
BBV-40245133,
CS-0035487,
EN300-175574,
(R)-1-BOC-2-BENZYLPIPERAZINE,
ACN-051642,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.877g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.943g/mol |
| Monoisotopic Mass | 272.879g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number