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886363-36-6 | 2-(3',4'-Difluoro-[1,1'-biphenyl]-4-yl);acetic acid
CAS No: 886363-36-6 Catalog No: AG004AP2 MDL No:
Product Description
Catalog Number:
AG004AP2
Chemical Name:
2-(3',4'-Difluoro-[1,1'-biphenyl]-4-yl);acetic acid
CAS Number:
886363-36-6
Molecular Formula:
C14H10F2O2
Molecular Weight:
248.2248
IUPAC Name:
2-[4-(3,4-difluorophenyl)phenyl]acetic acid
InChI:
InChI=1S/C14H10F2O2/c15-12-6-5-11(8-13(12)16)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)
InChI Key:
UGFFUDBVWPNLEA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)c1ccc(c(c1)F)F
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.229g/mol
Monoisotopic Mass:
248.065g/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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