| CAS Number | 121146-16-5 |
| Catalog Number | AG01BU7G(AGN-PC-0WOLLT) |
| Chemical Name | 5-Bromo-2-cyclopropylbenzoic acid |
| IUPAC Name | 5-bromo-2-cyclopropylbenzoic acid |
| InChI | InChI=1S/C10H9BrO2/c11-7-3-4-8(6-1-2-6)9(5-7)10(12)13/h3-6H,1-2H2,(H,12,13) |
| InChI Key | NMLDRLWYSYDNGT-UHFFFAOYSA-N |
| MDL Number | MFCD29067870 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | OC(C1=C(C2CC2)C=CC(Br)=C1)=O |
| Synonyms | 5-bromo-2-cyclopropylbenzoic acid,
121146-16-5,
AKOS023775069,
ZINC211685110,
Z2787257104,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.084g/mol |
| Monoisotopic Mass | 239.979g/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
Certificate of Analysis
Lot Number