| CAS Number | 291528-35-3 |
| Catalog Number | AG019JG8(AGN-PC-0LKQPX) |
| Chemical Name | 4-(Cyclopropylamino)-3-nitrobenzoic acid |
| IUPAC Name | 4-(cyclopropylamino)-3-nitrobenzoic acid |
| InChI | InChI=1S/C10H10N2O4/c13-10(14)6-1-4-8(11-7-2-3-7)9(5-6)12(15)16/h1,4-5,7,11H,2-3H2,(H,13,14) |
| InChI Key | IKTICLQCJRBVRS-UHFFFAOYSA-N |
| MDL Number | MFCD05270834 |
| Molecular Formula | C10H10N2O4 |
| Molecular Weight | 222.1974 |
| SMILES | C1(CC1)NC1=C(C=C(C(=O)O)C=C1)[N+](=O)[O-] |
| Synonyms | 4-(cyclopropylamino)-3-nitrobenzoic acid,
291528-35-3,
4-cyclopropylamino-3-nitrobenzoic acid,
AC1NLY3K,
AC1Q72SI,
CHEMBL238358,
SCHEMBL5906517,
CTK5I2633,
ZINC3887756,
AKOS000214450,
MCULE-1569322134,
NE23006,
EN300-09361,
AB00724170-01,
Z55984243,
CID4992776,
4-(cyclopropylamino)-3-nitro-benzoic Acid,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.2g/mol |
| Monoisotopic Mass | 222.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number