| CAS Number | 29765-45-5 |
| Catalog Number | AG00BNL7 |
| Chemical Name | 1-[(4-BROMOPHENYL)METHYL]-CYCLOPROPANECARBOXYLIC ACID |
| IUPAC Name | 1-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11BrO2/c12-9-3-1-8(2-4-9)7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14) |
| InChI Key | ABXVZMQHFZWQCA-UHFFFAOYSA-N |
| MDL Number | MFCD11848874 |
| Molecular Formula | C11H11BrO2 |
| Molecular Weight | 255.1078 |
| SMILES | BrC1=CC=C(CC2(CC2)C(=O)O)C=C1 |
| Synonyms | 29765-45-5,
1-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid,
SCHEMBL6523,
Cyclopropanecarboxylic acid, 1-[(4-bromophenyl)methyl]-,
ABXVZMQHFZWQCA-UHFFFAOYSA-N,
ZINC49845194,
AKOS015152424,
1-(4-Bromo-benzyl)-cyclopropanecarboxylic acid,
1-[(4-BROMOPHENYL)METHYL]-CYCLOPROPANECARBOXYLIC ACID,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.111g/mol |
| Monoisotopic Mass | 253.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number