| CAS Number | 175168-70-4 |
| Catalog Number | AG01DXEG(AGN-PC-0QAPDV) |
| Chemical Name | rel-(1S,2S)-2-(2-Bromophenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | (1R,2R)-2-(2-bromophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H9BrO2/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13/h1-4,7-8H,5H2,(H,12,13)/t7-,8+/m0/s1 |
| InChI Key | SJXGNJABBYVEHY-JGVFFNPUSA-N |
| MDL Number | MFCD29049179 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | O=C([C@@H]1[C@@H](C2=CC=CC=C2Br)C1)O |
| Synonyms | rel-(1R,2R)-2-(2-Bromophenyl)cyclopropane-1-carboxylic acid,
SCHEMBL4126357,
SJXGNJABBYVEHY-JGVFFNPUSA-N,
ZINC37380951,
CS-15779,
CS-0044564,
EN300-250470,
trans-(+)-2-(2-Bromo-phenyl)-cyclopropanecarboxylic Acid,
trans-(-)-2-(2-Bromo-phenyl)-cyclopropanecarboxylic Acid,
trans-(+/-)-2-(2-Bromo-phenyl)-cyclopropanecarboxylic acid,
175168-70-4,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.97859g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.08g/mol |
| Monoisotopic Mass | 239.97859g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number