| CAS Number | 82378-89-0 |
| Catalog Number | AG00ID8J |
| Chemical Name | 4-Amino-2-chloro-5-nitrobenzoic acid |
| IUPAC Name | 4-amino-2-chloro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H5ClN2O4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,9H2,(H,11,12) |
| InChI Key | OBYHEFCXYWMPKR-UHFFFAOYSA-N |
| MDL Number | MFCD15146829 |
| Molecular Formula | C7H5ClN2O4 |
| Molecular Weight | 216.5786 |
| SMILES | [O-][N+](=O)c1cc(C(=O)O)c(cc1N)Cl |
| Synonyms | 4-AMINO-2-CHLORO-5-NITROBENZOIC ACID,
82378-89-0,
SCHEMBL1964055,
OBYHEFCXYWMPKR-UHFFFAOYSA-N,
ZINC117653495,
4-amino-2-chloro-5-nitro-benzoic acid,
SC-20772,
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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 |
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Certificate of Analysis
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