| CAS Number | 1314654-60-8 |
| Catalog Number | AG000W8D(AGN-PC-0J2C2X) |
| Chemical Name | 1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-bromo-3-methylphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11BrO2/c1-7-6-8(2-3-9(7)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14) |
| InChI Key | QOGZYPQBUSUONK-UHFFFAOYSA-N |
| MDL Number | MFCD19693711 |
| Molecular Formula | C11H11BrO2 |
| Molecular Weight | 255.1078 |
| SMILES | O=C(C1(C2=CC=C(Br)C(C)=C2)CC1)O |
| Synonyms | 1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylic acid,
1314654-60-8,
ACMC-209blt,
CTK8B0091,
DTXSID70742708,
ANW-19311,
MFCD19693711,
ZINC84595037,
TC-108056,
B-9125,
Cyclopropanecarboxylic acid, 1-(4-bromo-3-methylphenyl)-,
QOGZYPQBUSUONK-UHFFFAOYSA-N,
|
| Complexity | 248 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number