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1261993-08-1 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-3'-methyl-
CAS No: 1261993-08-1 Catalog No: AG000SBH MDL No:MFCD16509416
Product Description
Catalog Number:
AG000SBH
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-3'-methyl-
CAS Number:
1261993-08-1
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD16509416
IUPAC Name:
3-fluoro-4-(3-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-3-2-4-10(7-9)12-6-5-11(14(16)17)8-13(12)15/h2-8H,1H3,(H,16,17)
InChI Key:
RWEMRZDXBYIYDX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1ccc(cc1F)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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