| CAS Number | 37902-01-5 |
| Catalog Number | AG00CLOQ |
| Chemical Name | 4-Amino-3-chloro-5-nitrobenzoic acid |
| IUPAC Name | 4-amino-3-chloro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H5ClN2O4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,9H2,(H,11,12) |
| InChI Key | RYHFFQWATLLGPV-UHFFFAOYSA-N |
| MDL Number | MFCD18785081 |
| Molecular Formula | C7H5ClN2O4 |
| Molecular Weight | 216.5786 |
| SMILES | NC1=C([N+]([O-])=O)C=C(C(O)=O)C=C1Cl |
| Synonyms | 4-Amino-3-chloro-5-nitrobenzoic acid,
37902-01-5,
ACMC-209iw2,
SCHEMBL1759017,
CTK8B1574,
DTXSID50716801,
ANW-28752,
ZINC62719866,
AKOS005764193,
FCH1342994,
ACM37902015,
Benzoicacid,4-amino-3-chloro-5-nitro-,
TC-117497,
FT-0709704,
V5591,
C7H5ClN2O4,
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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