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886363-30-0 | 3',4'-Difluoro-[1,1'-biphenyl]-2-carboxylic acid
CAS No: 886363-30-0 Catalog No: AG004AP4 MDL No:MFCD03839976
Product Description
Catalog Number:
AG004AP4
Chemical Name:
3',4'-Difluoro-[1,1'-biphenyl]-2-carboxylic acid
CAS Number:
886363-30-0
Molecular Formula:
C13H8F2O2
Molecular Weight:
234.1982
MDL Number:
MFCD03839976
IUPAC Name:
2-(3,4-difluorophenyl)benzoic acid
InChI:
InChI=1S/C13H8F2O2/c14-11-6-5-8(7-12(11)15)9-3-1-2-4-10(9)13(16)17/h1-7H,(H,16,17)
InChI Key:
SIWYNBHENGSUOZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1ccc(c(c1)F)F
Properties
Complexity:
283
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:
3.1
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