| CAS Number | 744200-38-2 |
| Catalog Number | AG00FJUS(AGN-PC-03XJ20) |
| Chemical Name | 4-Bromo-2-ethylbenzonitrile |
| IUPAC Name | 4-bromo-2-ethylbenzonitrile |
| InChI | InChI=1S/C9H8BrN/c1-2-7-5-9(10)4-3-8(7)6-11/h3-5H,2H2,1H3 |
| InChI Key | AUVHFKHIXUZCKD-UHFFFAOYSA-N |
| MDL Number | MFCD18826345 |
| Molecular Formula | C9H8BrN |
| Molecular Weight | 210.0705 |
| SMILES | BrC1=CC(=C(C#N)C=C1)CC |
| Synonyms | 4-Bromo-2-ethylbenzonitrile,
744200-38-2,
Benzonitrile, 4-bromo-2-ethyl- (9CI),
ethyl p-bromobenzonitrile,
SCHEMBL1366457,
Benzonitrile, 4-bromo-2-ethyl-,
AUVHFKHIXUZCKD-UHFFFAOYSA-N,
MFCD18826345,
ZINC39101420,
AKOS027425844,
FS-6442,
SC-89228,
FT-0746663,
Benzonitrile,4-bromo-2-ethyl-,
|
| 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 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number