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1214330-80-9 | [1,1'-Biphenyl]-3-carboxylic acid, 4',5-difluoro-
CAS No: 1214330-80-9 Catalog No: AG0014SC MDL No:MFCD14699222
Product Description
Catalog Number:
AG0014SC
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4',5-difluoro-
CAS Number:
1214330-80-9
Molecular Formula:
C13H8F2O2
Molecular Weight:
234.1982
MDL Number:
MFCD14699222
IUPAC Name:
3-fluoro-5-(4-fluorophenyl)benzoic acid
InChI:
InChI=1S/C13H8F2O2/c14-11-3-1-8(2-4-11)9-5-10(13(16)17)7-12(15)6-9/h1-7H,(H,16,17)
InChI Key:
AOESPRFGWJYJER-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(=O)O)c1ccc(cc1)F
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.202g/mol
Monoisotopic Mass:
234.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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