| CAS Number | 669713-86-4 |
| Catalog Number | AG00FAW0(AGN-PC-0TMROA) |
| Chemical Name | (3'-Fluoro-biphenyl-3-yl)-acetic acid |
| IUPAC Name | 2-[3-(3-fluorophenyl)phenyl]acetic acid |
| InChI | InChI=1S/C14H11FO2/c15-13-6-2-5-12(9-13)11-4-1-3-10(7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17) |
| InChI Key | AMMCIAQLNFOHTP-UHFFFAOYSA-N |
| MDL Number | MFCD03426490 |
| Molecular Formula | C14H11FO2 |
| Molecular Weight | 230.2343 |
| SMILES | FC1=CC=CC(=C1)C1C=CC=C(CC(O)=O)C=1 |
| Synonyms | 669713-86-4,
(3'-Fluoro-biphenyl-3-yl)-acetic acid,
3-biphenyl-3'-fluoro-acetic acid,
(3'-fluoro-biphenyl-3-yl)acetic acid,
2-(3'-Fluoro-[1,1'-biphenyl]-3-yl)acetic acid,
3-Biphenyl-3'-fluoro-aceticacid,
3'-fluoro-biphenyl-3-acetic acid,
2-[3-(3-fluorophenyl)phenyl]acetic Acid,
AC1LRC7J,
SCHEMBL13802492,
CTK7J2386,
DTXSID80362613,
ZINC1256755,
MFCD03426490,
(3'-fluorobiphenyl-3-yl)acetic acid,
2-(3'-fluorobiphenyl-3-yl)acetic acid,
AJ-25208,
X-1556,
CID1392351,
A12770,
|
| Complexity | 267 |
| 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 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number