| CAS Number | 1215205-39-2 |
| Catalog Number | AG00154J(AGN-PC-0WP1PN) |
| Chemical Name | 3'-Bromo-5'-methoxybiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(3-bromo-5-methoxyphenyl)benzoic acid |
| InChI | InChI=1S/C14H11BrO3/c1-18-13-7-11(6-12(15)8-13)9-3-2-4-10(5-9)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | HKWZVMVNLVXIAG-UHFFFAOYSA-N |
| MDL Number | MFCD15143524 |
| Molecular Formula | C14H11BrO3 |
| Molecular Weight | 307.1393 |
| SMILES | COc1cc(Br)cc(c1)c1cccc(c1)C(=O)O |
| Synonyms | 1215205-39-2,
3'-BROMO-5'-METHOXYBIPHENYL-3-CARBOXYLIC ACID,
3-Bromo-5-methoxybiphenyl-3-carboxylic acid,
3/'-Bromo-5/'-methoxybiphenyl-3-carboxylic acid,
CTK4B2414,
DTXSID90681802,
MFCD15143524,
ZINC65336973,
AKOS015834233,
TR-034529,
K-1602,
3'-Bromo-5'-methoxy[1,1'-biphenyl]-3-carboxylic acid,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.143g/mol |
| Monoisotopic Mass | 305.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number