| CAS Number | 1096159-01-1 |
| Catalog Number | AG01B18T |
| Chemical Name | 3-(1-Bromoethyl)benzonitrile |
| IUPAC Name | 3-(1-bromoethyl)benzonitrile |
| InChI | InChI=1S/C9H8BrN/c1-7(10)9-4-2-3-8(5-9)6-11/h2-5,7H,1H3 |
| InChI Key | DMAOHPSLHOOOPW-UHFFFAOYSA-N |
| MDL Number | MFCD19625763 |
| Molecular Formula | C9H8BrN |
| Molecular Weight | 210.0705 |
| SMILES | CC(C1=CC=CC(=C1)C#N)Br |
| Synonyms | 3-(1-bromoethyl)benzonitrile,
1096159-01-1,
SCHEMBL2058684,
AKOS013306670,
FCH4613008,
NE19477,
BBV-38434463,
SY131057,
MFCD19625763 (95%),
EN300-170368,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number