| CAS Number | 60541-88-0 |
| Catalog Number | AG01A1SM(AGN-PC-0WCJIT) |
| Chemical Name | 5-Bromo-2-chloro-3-nitrobenzoic acid |
| IUPAC Name | 5-bromo-2-chloro-3-nitrobenzoic acid |
| InChI | InChI=1S/C7H3BrClNO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12) |
| InChI Key | BLINULPTLDKOLO-UHFFFAOYSA-N |
| MDL Number | MFCD12173017 |
| Molecular Formula | C7H3BrClNO4 |
| Molecular Weight | 280.4600 |
| SMILES | O=C(O)C1=CC(Br)=CC([N+]([O-])=O)=C1Cl |
| Synonyms | 5-bromo-2-chloro-3-nitrobenzoic acid,
60541-88-0,
SCHEMBL9086480,
BLINULPTLDKOLO-UHFFFAOYSA-N,
ZINC35333651,
NE19571,
Benzoic acid, 5-bromo-2-chloro-3-nitro-,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.893g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.458g/mol |
| Monoisotopic Mass | 278.893g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number