| CAS Number | 792952-51-3 |
| Catalog Number | AG00G70Y(AGN-PC-03STYP) |
| Chemical Name | 2-Chloro-4-Hydroxy-5-Nitrobenzoic Acid |
| IUPAC Name | 2-chloro-4-hydroxy-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H4ClNO5/c8-4-2-6(10)5(9(13)14)1-3(4)7(11)12/h1-2,10H,(H,11,12) |
| InChI Key | POXKNUFPZVKHIL-UHFFFAOYSA-N |
| MDL Number | MFCD14582843 |
| Molecular Formula | C7H4ClNO5 |
| Molecular Weight | 217.5634 |
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])O)Cl)C(=O)O |
| Synonyms | 2-Chloro-4-hydroxy-5-nitrobenzoic acid,
792952-51-3,
SCHEMBL1787500,
DTXSID70627147,
POXKNUFPZVKHIL-UHFFFAOYSA-N,
MFCD14582843,
ZINC87489317,
FCH1385032,
2-Chloro-4-hydroxy-5-nitro-benzoic acid,
AS-11111,
AJ-127946,
AX8258639,
DB-075575,
Benzoic acid, 2-chloro-4-hydroxy-5-nitro-,
FT-0763698,
M-1981,
C7H4ClNO5,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.561g/mol |
| Monoisotopic Mass | 216.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number