| CAS Number | 21771-89-1 |
| Catalog Number | AG003BUY(AGN-PC-05X3XR) |
| Chemical Name | 2-(4-bromophenyl)-2-phenylacetic acid |
| IUPAC Name | 2-(4-bromophenyl)-2-phenylacetic acid |
| InChI | InChI=1S/C14H11BrO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17) |
| InChI Key | YNCBITWCPFWJJG-UHFFFAOYSA-N |
| MDL Number | MFCD00969706 |
| Molecular Formula | C14H11BrO2 |
| Molecular Weight | 291.1399 |
| SMILES | OC(C(C1=CC=C(Br)C=C1)C1=CC=CC=C1)=O |
| Synonyms | 2-(4-bromophenyl)-2-phenylacetic acid,
(4-bromophenyl)(phenyl)acetic acid,
21771-89-1,
(4-bromophenyl)phenylacetic acid,
AC1MZFNP,
SCHEMBL2842478,
YNCBITWCPFWJJG-UHFFFAOYSA-N,
AKOS016035823,
alpha-Phenyl-4-bromobenzeneacetic acid,
TRA0027321,
DA-08137,
TX-015452,
FT-0743375,
CID3847307,
2-(4-bromophenyl)-2-phenyl-acetic Acid,
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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 | 289.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.144g/mol |
| Monoisotopic Mass | 289.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number