| CAS Number | 34919-34-1 |
| Catalog Number | AG01C2DQ(AGN-PC-0RAB3G) |
| Chemical Name | rel-(1R,2R)-2-(3-Bromophenyl)cyclopropanecarboxylic acid |
| IUPAC Name | (1R,2S)-2-(3-bromophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H9BrO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9-/m1/s1 |
| InChI Key | WQKBKSZJAIBOED-RKDXNWHRSA-N |
| MDL Number | MFCD11575000 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | C(O)(=O)[C@H]1[C@@H](C1)C2=CC(Br)=CC=C2 |
| Synonyms | SCHEMBL6902985,
ZINC31829288,
AJ-84379,
rac-(1R,2R)-2-(3-bromophenyl)cyclopropane-1-carboxylic acid, trans,
34919-34-1,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.084g/mol |
| Monoisotopic Mass | 239.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number