| CAS Number | 854267-90-6 |
| Catalog Number | AG00G9VM(AGN-PC-0CRZJN) |
| Chemical Name | 1-(6-Chloro-pyridin-3-yl)-cyclopropanecarboxylic acid |
| IUPAC Name | 1-(6-chloropyridin-3-yl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H8ClNO2/c10-7-2-1-6(5-11-7)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13) |
| InChI Key | ZJNKQXKFPFVZIU-UHFFFAOYSA-N |
| MDL Number | MFCD13188887 |
| Molecular Formula | C9H8ClNO2 |
| Molecular Weight | 197.6183 |
| SMILES | c1cc(ncc1C2(CC2)C(=O)O)Cl |
| Synonyms | 854267-90-6,
1-(6-CHLOROPYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID,
1-(6-CHLOROPYRIDIN-3-YL)CYCLOPROPANE-1-CARBOXYLIC ACID,
Cyclopropanecarboxylic acid, 1-(6-chloro-3-pyridinyl)-,
SCHEMBL349552,
DTXSID70731278,
ZJNKQXKFPFVZIU-UHFFFAOYSA-N,
1-(6-CHLORO-PYRIDIN-3-YL)-CYCLOPROPANECARBOXYLIC ACID,
MFCD13188887,
ZINC83282458,
AKOS026743584,
AB67325,
AS-39211,
CS-0088415,
Y1773,
A1-00912,
1-(6-Chloropyridin-3-yl)cyclopropane-carboxylic acid,
C9H8ClNO2,
|
| Complexity | 228 |
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number