| CAS Number | 6324-51-2 |
| Catalog Number | AG01FS7U(AGN-PC-0JO9V6) |
| Chemical Name | 2-Amino-5-chloro-3-nitro-benzoic acid |
| IUPAC Name | 2-amino-5-chloro-3-nitrobenzoic acid |
| InChI | InChI=1S/C7H5ClN2O4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,9H2,(H,11,12) |
| InChI Key | BKTMGBPFFCRHST-UHFFFAOYSA-N |
| MDL Number | MFCD08752983 |
| Molecular Formula | C7H5ClN2O4 |
| Molecular Weight | 216.5786 |
| NSC Number | 29083 |
| SMILES | Clc1cc([N+](=O)[O-])c(c(c1)C(=O)O)N |
| Synonyms | 2-amino-5-chloro-3-nitrobenzoic acid,
6324-51-2,
2-amino-5-chloro-3-nitro-benzoic acid,
NSC29083,
SCHEMBL505380,
CTK5B8277,
5-Chloro-3-nitroanthranilic acid,
DTXSID10283004,
BKTMGBPFFCRHST-UHFFFAOYSA-N,
ZINC4748127,
NSC-29083,
AKOS005064504,
AB49025,
DA-04176,
SC-32729,
FT-0769426,
AC1Q5ABB,
AC1L5N1T,
AR-1D8474,
CID232055,
70495-36-2,
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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 | 215.993784g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.58g/mol |
| Monoisotopic Mass | 215.993784g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109Ų |
| 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