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1215206-80-6 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-fluoro-6'-methyl-
CAS No: 1215206-80-6 Catalog No: AG001586 MDL No:MFCD15143510
Product Description
Catalog Number:
AG001586
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-fluoro-6'-methyl-
CAS Number:
1215206-80-6
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD15143510
IUPAC Name:
3-(2-fluoro-6-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-4-2-7-12(15)13(9)10-5-3-6-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
WEFSCTPLVWIRNQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1c(C)cccc1F
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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