| CAS Number | 1249352-65-5 |
| Catalog Number | AG000MW3(AGN-PC-0DZHTL) |
| Chemical Name | 2-Chloro-4-[(cyclopropylcarbonyl)amino]benzoic acid |
| IUPAC Name | 2-chloro-4-(cyclopropanecarbonylamino)benzoic acid |
| InChI | InChI=1S/C11H10ClNO3/c12-9-5-7(3-4-8(9)11(15)16)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)(H,15,16) |
| InChI Key | CTWCQCGNRZVMLE-UHFFFAOYSA-N |
| MDL Number | MFCD14659014 |
| Molecular Formula | C11H10ClNO3 |
| Molecular Weight | 239.6550 |
| SMILES | OC(C1=C(Cl)C=C(NC(C2CC2)=O)C=C1)=O |
| Synonyms | 1249352-65-5,
2-chloro-4-[(cyclopropylcarbonyl)amino]Benzoic acid,
2-Chloro-4-(cyclopropanecarboxamido)benzoic acid,
2-chloro-4-cyclopropaneamidobenzoic acid,
5508AJ,
ZINC42417379,
AKOS010658457,
NE49411,
SY014984,
AJ-104430,
DB-062330,
TC-307064,
FT-0767851,
MFCD14659014 (95%),
Benzoic acid, 2-chloro-4-[(cyclopropylcarbonyl)amino]-,
Z1443886947,
C11H10ClNO3,
174500-74-4,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.655g/mol |
| Monoisotopic Mass | 239.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number