| CAS Number | 773109-32-3 |
| Catalog Number | AG0036HC(AGN-PC-0UBBV9) |
| Chemical Name | 2-Amino-3-chloro-5-nitrobenzoic acid |
| IUPAC Name | 2-amino-3-chloro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H5ClN2O4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,9H2,(H,11,12) |
| InChI Key | KHXIPGBFCRIAME-UHFFFAOYSA-N |
| MDL Number | MFCD06208323 |
| Molecular Formula | C7H5ClN2O4 |
| Molecular Weight | 216.5786 |
| SMILES | NC1=C(C(=O)O)C=C(C=C1Cl)[N+](=O)[O-] |
| Synonyms | 2-AMINO-3-CHLORO-5-NITROBENZOIC ACID,
773109-32-3,
SCHEMBL10770551,
CTK5E4186,
DTXSID10607701,
MFCD06208323,
ZINC44225023,
AKOS005133215,
AB23261,
Benzoic acid,2-amino-3-chloro-5-nitro-,
CS-0059854,
2-AMINO-3-CHLORO-5-NITROBENZOICACID,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.577g/mol |
| Monoisotopic Mass | 215.994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number