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1365272-72-5 | [1,1'-Biphenyl]-4-acetic acid, 3'-fluoro-4'-methyl-
CAS No: 1365272-72-5 Catalog No: AG001211 MDL No:MFCD21609606
Product Description
Catalog Number:
AG001211
Chemical Name:
[1,1'-Biphenyl]-4-acetic acid, 3'-fluoro-4'-methyl-
CAS Number:
1365272-72-5
Molecular Formula:
C15H13FO2
Molecular Weight:
244.2609
MDL Number:
MFCD21609606
IUPAC Name:
2-[4-(3-fluoro-4-methylphenyl)phenyl]acetic acid
InChI:
InChI=1S/C15H13FO2/c1-10-2-5-13(9-14(10)16)12-6-3-11(4-7-12)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18)
InChI Key:
JLIYQKWGCTXJFB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)c1ccc(c(c1)F)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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