| CAS Number | 862728-34-5 |
| Catalog Number | AG00IDZQ(AGN-PC-09T7MR) |
| Chemical Name | 5-Bromo-2-hydroxy-3-nitrobenzonitrile |
| IUPAC Name | 5-bromo-2-hydroxy-3-nitrobenzonitrile |
| InChI | InChI=1S/C7H3BrN2O3/c8-5-1-4(3-9)7(11)6(2-5)10(12)13/h1-2,11H |
| InChI Key | LWHWSXVTGCREDO-UHFFFAOYSA-N |
| MDL Number | MFCD02261944 |
| Molecular Formula | C7H3BrN2O3 |
| Molecular Weight | 243.0143 |
| SMILES | N#Cc1cc(Br)cc(c1O)[N+](=O)[O-] |
| Synonyms | 862728-34-5,
5-bromo-2-hydroxy-3-nitro-benzonitrile,
5-BROMO-2-HYDROXY-3-NITROBENZONITRILE,
SCHEMBL3814947,
LWHWSXVTGCREDO-UHFFFAOYSA-N,
ZINC2581340,
MFCD02261944,
AKOS027255518,
Benzonitrile, 5-bromo-2-hydroxy-3-nitro-,
CS-0036153,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.016g/mol |
| Monoisotopic Mass | 241.933g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number