| CAS Number | 1060811-41-7 |
| Catalog Number | AG0094RM |
| Chemical Name | 1-(6-Bromopyridin-3-YL)cyclopropanecarboxylic acid |
| IUPAC Name | 1-(6-bromopyridin-3-yl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H8BrNO2/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 | NJHZFDREDVYAJW-UHFFFAOYSA-N |
| MDL Number | MFCD13188867 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | OC(C1(C2=CN=C(Br)C=C2)CC1)=O |
| Synonyms | 1-(6-BROMOPYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID,
1060811-41-7,
DTXSID00857298,
MFCD13188867,
ZINC95642369,
AB67284,
AS-41683,
1-(6-BROMOPYRIDIN-3-YL)CYCLOPROPANE-1-CARBOXYLIC ACID,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.072g/mol |
| Monoisotopic Mass | 240.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number