| CAS Number | 327107-49-3 |
| Catalog Number | AG00BZPS(AGN-PC-0K4NE6) |
| Chemical Name | [3-(4-fluorophenyl)phenyl]acetic acid |
| IUPAC Name | 2-[3-(4-fluorophenyl)phenyl]acetic acid |
| InChI | InChI=1S/C14H11FO2/c15-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(16)17/h1-8H,9H2,(H,16,17) |
| InChI Key | KEHXYIKRLCYNJX-UHFFFAOYSA-N |
| MDL Number | MFCD03426493 |
| Molecular Formula | C14H11FO2 |
| Molecular Weight | 230.2343 |
| SMILES | FC1C=CC(=CC=1)C1C=CC=C(CC(O)=O)C=1 |
| Synonyms | 327107-49-3,
3-biphenyl-4'-fluoro-acetic acid,
2-(4'-Fluoro-[1,1'-biphenyl]-3-yl)acetic acid,
(4-Fluorobiphenyl-3')-acetic acid,
3-Biphenyl-4'-fluoro-aceticacid,
4'-fluoro-biphenyl-3-acetic acid,
(4'-fluoro-biphenyl-3-yl)-acetic acid,
2-[3-(4-fluorophenyl)phenyl]acetic Acid,
AC1LRDI6,
SCHEMBL5269627,
DTXSID30362709,
ZINC1259255,
MFCD03426493,
(4'-fluorobiphenyl-3-yl)acetic acid,
AB0080764,
FT-0765529,
[3-(4-FLUOROPHENYL)PHENYL]ACETIC ACID,
CID1393826,
A12768,
X-2013,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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