| CAS Number | 1035690-32-4 |
| Catalog Number | AG01BGMP(AGN-PC-0WOVU8) |
| Chemical Name | 2-Chloro-5-cyclopropylpyridine-3-carboxylic acid |
| IUPAC Name | 2-chloro-5-cyclopropylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H8ClNO2/c10-8-7(9(12)13)3-6(4-11-8)5-1-2-5/h3-5H,1-2H2,(H,12,13) |
| InChI Key | RTVWYIIWJGGTCO-UHFFFAOYSA-N |
| MDL Number | MFCD20660025 |
| Molecular Formula | C9H8ClNO2 |
| Molecular Weight | 197.6183 |
| SMILES | ClC1=C(C(=O)O)C=C(C=N1)C1CC1 |
| Synonyms | 2-chloro-5-cyclopropylnicotinic acid,
1035690-32-4,
2-chloro-5-cyclopropylpyridine-3-carboxylic acid,
SCHEMBL3727102,
RTVWYIIWJGGTCO-UHFFFAOYSA-N,
ZINC98210173,
AKOS026744771,
2-Chloro-5-cyclopropyl-nicotinic acid,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.618g/mol |
| Monoisotopic Mass | 197.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number