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136834-55-4 | [1,1'-Biphenyl]-2-carboxylic acid, 4-fluoro-4'-methyl-, methyl ester
CAS No: 136834-55-4 Catalog No: AG0012FB MDL No:
Product Description
Catalog Number:
AG0012FB
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4-fluoro-4'-methyl-, methyl ester
CAS Number:
136834-55-4
Molecular Formula:
C15H13FO2
Molecular Weight:
244.2609
IUPAC Name:
methyl 5-fluoro-2-(4-methylphenyl)benzoate
InChI:
InChI=1S/C15H13FO2/c1-10-3-5-11(6-4-10)13-8-7-12(16)9-14(13)15(17)18-2/h3-9H,1-2H3
InChI Key:
GEPAQELTZTYXFV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)ccc1c1ccc(cc1)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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