| CAS Number | 1483329-91-4 |
| Catalog Number | AG01AL8Y |
| Chemical Name | 1-[(2-Bromophenyl)methyl]cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-[(2-bromophenyl)methyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11BrO2/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 | ASQCLJFZUGUWFP-UHFFFAOYSA-N |
| MDL Number | MFCD21669748 |
| Molecular Formula | C11H11BrO2 |
| Molecular Weight | 255.1078 |
| SMILES | OC(C1(CC1)CC1=C(Br)C=CC=C1)=O |
| Synonyms | 1-[(2-bromophenyl)methyl]cyclopropane-1-carboxylic acid,
1483329-91-4,
ZINC85033542,
AKOS015366087,
Z2205958478,
|
| Complexity | 235 |
| 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 |
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Certificate of Analysis
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