| CAS Number | 1807186-81-7 |
| Catalog Number | AG00I06D(AGN-PC-0WQVOX) |
| Chemical Name | 4-Bromo-2-methyl-6-nitrobenzonitrile |
| IUPAC Name | 4-bromo-2-methyl-6-nitrobenzonitrile |
| InChI | InChI=1S/C8H5BrN2O2/c1-5-2-6(9)3-8(11(12)13)7(5)4-10/h2-3H,1H3 |
| InChI Key | AFFIDZVLJDEVLY-UHFFFAOYSA-N |
| MDL Number | MFCD28745287 |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.0415 |
| SMILES | CC1=CC(=CC(=C1C#N)[N+](=O)[O-])Br |
| Synonyms | 4-bromo-2-methyl-6-nitrobenzonitrile,
1807186-81-7,
SCHEMBL1343514,
ZINC115915120,
FCH4012626,
TZ001092,
CS-0037032,
EN300-185658,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.95344g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.04g/mol |
| Monoisotopic Mass | 239.95344g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number