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1261912-21-3 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-3'-(phenylmethoxy)-
CAS No: 1261912-21-3 Catalog No: AG000S55 MDL No:MFCD18322869
Product Description
Catalog Number:
AG000S55
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-3'-(phenylmethoxy)-
CAS Number:
1261912-21-3
Molecular Formula:
C20H15FO3
Molecular Weight:
322.3297
MDL Number:
MFCD18322869
IUPAC Name:
3-fluoro-4-(3-phenylmethoxyphenyl)benzoic acid
InChI:
InChI=1S/C20H15FO3/c21-19-12-16(20(22)23)9-10-18(19)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)
InChI Key:
MLUFTTSUDFBEAM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)c1cccc(c1)OCc1ccccc1
Properties
Complexity:
408
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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