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1008773-96-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-fluoro-2-methyl-
CAS No: 1008773-96-3 Catalog No: AG000333 MDL No:MFCD14701514
Product Description
Catalog Number:
AG000333
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-fluoro-2-methyl-
CAS Number:
1008773-96-3
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD14701514
IUPAC Name:
4-(3-fluorophenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-7-11(14(16)17)5-6-13(9)10-3-2-4-12(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
IBGAPBDUMYRGEB-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccc(cc1C)C(=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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