| CAS Number | 1260666-35-0 |
| Catalog Number | AG00HITR(AGN-PC-0WCMTT) |
| Chemical Name | 1-(6-Chloropyridin-3-YL)cyclobutanecarboxylic acid |
| IUPAC Name | 1-(6-chloropyridin-3-yl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C10H10ClNO2/c11-8-3-2-7(6-12-8)10(9(13)14)4-1-5-10/h2-3,6H,1,4-5H2,(H,13,14) |
| InChI Key | TWKUGMFRFVOEEU-UHFFFAOYSA-N |
| MDL Number | MFCD18250951 |
| Molecular Formula | C10H10ClNO2 |
| Molecular Weight | 211.6449 |
| SMILES | OC(C1(C2=CN=C(Cl)C=C2)CCC1)=O |
| Synonyms | 1-(6-CHLOROPYRIDIN-3-YL)CYCLOBUTANECARBOXYLIC ACID,
1260666-35-0,
A1-01193,
SCHEMBL9966332,
TWKUGMFRFVOEEU-UHFFFAOYSA-N,
MFCD18250951,
ZINC75089111,
AKOS025404162,
AB73987,
FCH1364790,
AS-42198,
FT-0732100,
X-2735,
1-(6-chloro-3-pyridinyl)Cyclobutanecarboxylic acid,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.645g/mol |
| Monoisotopic Mass | 211.04g/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