| CAS Number | 392319-07-2 |
| Catalog Number | AG00CLSZ(AGN-PC-0WOI9L) |
| Chemical Name | 5-Bromo-4-chloro-2-nitrobenzoic acid |
| IUPAC Name | 5-bromo-4-chloro-2-nitrobenzoic acid |
| InChI | InChI=1S/C7H3BrClNO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2H,(H,11,12) |
| InChI Key | MGTZFKZXVQJILX-UHFFFAOYSA-N |
| MDL Number | MFCD01098213 |
| Molecular Formula | C7H3BrClNO4 |
| Molecular Weight | 280.4600 |
| SMILES | OC(=O)c1cc(Br)c(cc1[N+](=O)[O-])Cl |
| Synonyms | 5-bromo-4-chloro-2-nitrobenzoic acid,
392319-07-2,
AC1N8N1O,
ZINC5567046,
AKOS024353676,
MCULE-5853978284,
ST50979876,
V5687,
C7H3BrClNO4,
CID4321369,
5-bromo-4-chloro-2-nitro-benzoic Acid,
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| 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 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number