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1261939-39-2 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-fluoro-2,4'-dimethyl-
CAS No: 1261939-39-2 Catalog No: AG000S76 MDL No:MFCD18319622
Product Description
Catalog Number:
AG000S76
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-fluoro-2,4'-dimethyl-
CAS Number:
1261939-39-2
Molecular Formula:
C15H13FO2
Molecular Weight:
244.2609
MDL Number:
MFCD18319622
IUPAC Name:
4-(3-fluoro-4-methylphenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C15H13FO2/c1-9-3-4-11(8-14(9)16)13-6-5-12(15(17)18)7-10(13)2/h3-8H,1-2H3,(H,17,18)
InChI Key:
ILXUGAMSUNSJBT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)c1ccc(c(c1)F)C
Properties
Complexity:
305
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:
1
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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