| CAS Number | 1314738-42-5 |
| Catalog Number | AG01FSG1(AGN-PC-3H6059) |
| Chemical Name | 1-(4-Amino-3-chlorophenyl)cyclopropanecarboxylic acid |
| IUPAC Name | 1-(4-amino-3-chlorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H10ClNO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4,12H2,(H,13,14) |
| InChI Key | QFLAMJGPLLEVHK-UHFFFAOYSA-N |
| MDL Number | MFCD19693788 |
| Molecular Formula | C10H10ClNO2 |
| Molecular Weight | 211.6449 |
| SMILES | O=C(C1(C2=CC=C(N)C(Cl)=C2)CC1)O |
| Synonyms | 1-(4-Amino-3-chlorophenyl)cyclopropanecarboxylic acid,
1314738-42-5,
AK00781107,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.040006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.64g/mol |
| Monoisotopic Mass | 211.040006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number