| CAS Number | 1459253-66-7 |
| Catalog Number | AG01C1FF |
| Chemical Name | 3-Amino-6-bromo-2-methylbenzonitrile |
| IUPAC Name | 3-amino-6-bromo-2-methylbenzonitrile |
| InChI | InChI=1S/C8H7BrN2/c1-5-6(4-10)7(9)2-3-8(5)11/h2-3H,11H2,1H3 |
| InChI Key | MOMBMFUFKAKPAF-UHFFFAOYSA-N |
| MDL Number | MFCD29058663 |
| Molecular Formula | C8H7BrN2 |
| Molecular Weight | 211.0586 |
| SMILES | CC1=C(C#N)C(Br)=CC=C1N |
| Synonyms | 3-Amino-6-bromo-2-methylbenzonitrile,
1459253-66-7,
SCHEMBL15264472,
MOMBMFUFKAKPAF-UHFFFAOYSA-N,
MFCD29058663,
AKOS027328779,
ZINC145661371,
FCH4993560,
AS-35879,
EN300-247077,
Z2235822069,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.062g/mol |
| Monoisotopic Mass | 209.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number