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1261913-01-2 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-4'-(phenylmethoxy)-
CAS No: 1261913-01-2 Catalog No: AG000S52 MDL No:MFCD18322900
Product Description
Catalog Number:
AG000S52
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-4'-(phenylmethoxy)-
CAS Number:
1261913-01-2
Molecular Formula:
C20H15FO3
Molecular Weight:
322.3297
MDL Number:
MFCD18322900
IUPAC Name:
3-fluoro-4-(4-phenylmethoxyphenyl)benzoic acid
InChI:
InChI=1S/C20H15FO3/c21-19-12-16(20(22)23)8-11-18(19)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
InChI Key:
PIYGSACCJFXIIS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.335g/mol
Monoisotopic Mass:
322.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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