| CAS Number | 1060811-43-9 |
| Catalog Number | AG00HARK |
| Chemical Name | 1-(2-BROMOPYRIDIN-4-YL)CYCLOPROPANECARBOXYLIC ACID |
| IUPAC Name | 1-(2-bromopyridin-4-yl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H8BrNO2/c10-7-5-6(1-4-11-7)9(2-3-9)8(12)13/h1,4-5H,2-3H2,(H,12,13) |
| InChI Key | IPHJRNBPNWSYIK-UHFFFAOYSA-N |
| MDL Number | MFCD13188868 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | BrC1=NC=CC(=C1)C1(CC1)C(=O)O |
| Synonyms | 1-(2-BROMOPYRIDIN-4-YL)CYCLOPROPANECARBOXYLIC ACID,
1060811-43-9,
SCHEMBL1669766,
DTXSID20857295,
IPHJRNBPNWSYIK-UHFFFAOYSA-N,
MFCD13188868,
ZINC95642370,
AKOS027253434,
AB67287,
AS-41674,
1-(2-bromopyridin-4-yl)-cyclopropanecarboxylic acid,
1-(2-bromo-pyridin-4-yl)-cyclopropanecarboxylic acid,
1-(2-Bromo-4-pyridinyl)cyclopropanecarboxylic acid, AldrichCPR,
1-(2-BROMOPYRIDIN-4-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