| CAS Number | 1314789-82-6 |
| Catalog Number | AG000W9R(AGN-PC-0J2C31) |
| Chemical Name | 1-(4-Bromo-3-chlorophenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-bromo-3-chlorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8BrClO2/c11-7-2-1-6(5-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14) |
| InChI Key | MBEGUOFFROFUDN-UHFFFAOYSA-N |
| MDL Number | MFCD19693625 |
| Molecular Formula | C10H8BrClO2 |
| Molecular Weight | 275.5263 |
| SMILES | OC(C1(C2=CC(Cl)=C(Br)C=C2)CC1)=O |
| Synonyms | 1-(4-Bromo-3-chlorophenyl)cyclopropane-1-carboxylic acid,
1314789-82-6,
ACMC-209blx,
CTK8B0095,
DTXSID60742712,
ANW-19315,
MFCD19693625,
ZINC84666638,
AKOS023481722,
MCULE-6745778207,
NE49977,
TC-108060,
Z1834265848,
Cyclopropanecarboxylic acid, 1-(4-bromo-3-chlorophenyl)-,
MBEGUOFFROFUDN-UHFFFAOYSA-N,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.526g/mol |
| Monoisotopic Mass | 273.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number