| CAS Number | 29765-39-7 |
| Catalog Number | AG01AV5F(AGN-PC-0WO1SY) |
| Chemical Name | 1-[(2-chlorophenyl)methyl]cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-[(2-chlorophenyl)methyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11ClO2/c12-9-4-2-1-3-8(9)7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14) |
| InChI Key | QPACAUSGIAGIAZ-UHFFFAOYSA-N |
| MDL Number | MFCD11848882 |
| Molecular Formula | C11H11ClO2 |
| Molecular Weight | 210.6568 |
| SMILES | OC(C1(CC1)CC1=C(Cl)C=CC=C1)=O |
| Synonyms | 29765-39-7,
1-[(2-chlorophenyl)methyl]cyclopropane-1-carboxylic acid,
Cyclopropanecarboxylic acid, 1-[(2-chlorophenyl)methyl]-,
ZINC49814833,
AKOS015152642,
MCULE-1265882249,
NE30474,
Z1778350582,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.657g/mol |
| Monoisotopic Mass | 210.045g/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