| CAS Number | 38678-87-4 |
| Catalog Number | AG00CMMC(AGN-PC-0WOI8Y) |
| Chemical Name | 2-Bromo-4-ethylbenzonitrile |
| IUPAC Name | 2-bromo-4-ethylbenzonitrile |
| InChI | InChI=1S/C9H8BrN/c1-2-7-3-4-8(6-11)9(10)5-7/h3-5H,2H2,1H3 |
| InChI Key | ABQVGEQFWXVFNU-UHFFFAOYSA-N |
| MDL Number | MFCD21606665 |
| Molecular Formula | C9H8BrN |
| Molecular Weight | 210.0705 |
| SMILES | CCC1=CC(Br)=C(C#N)C=C1 |
| Synonyms | 2-bromo-4-ethylbenzonitrile,
38678-87-4,
4-ethyl-2-bromo-benzonitrile,
SCHEMBL4269850,
MFCD21606665,
AKOS032947883,
AM806910,
|
| 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 |
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Certificate of Analysis
Lot Number