| CAS Number | 94654-52-1 |
| Catalog Number | AG019EQ1(AGN-PC-00MB80) |
| Chemical Name | 3-BROMO-[1,1'-BIPHENYL]-2-CARBOXYLIC ACID |
| IUPAC Name | 2-bromo-6-phenylbenzoic acid |
| InChI | InChI=1S/C13H9BrO2/c14-11-8-4-7-10(12(11)13(15)16)9-5-2-1-3-6-9/h1-8H,(H,15,16) |
| InChI Key | UJKBEQICHOOGBO-UHFFFAOYSA-N |
| MDL Number | MFCD31652774 |
| Molecular Formula | C13H9BrO2 |
| Molecular Weight | 277.1134 |
| SMILES | OC(=O)c1c(Br)cccc1-c1ccccc1 |
| Synonyms | 3-Bromobiphenyl-2-carboxylic acid,
94654-52-1,
SCHEMBL5099611,
UJKBEQICHOOGBO-UHFFFAOYSA-N,
CS-0059851,
3-Bromo-[1,1'-biphenyl]-2-carboxylic acid,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.117g/mol |
| Monoisotopic Mass | 275.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number