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187876-26-2 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-4'-heptyl-
CAS No: 187876-26-2 Catalog No: AG002GJW MDL No:
Product Description
Catalog Number:
AG002GJW
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-4'-heptyl-
CAS Number:
187876-26-2
Molecular Formula:
C20H23FO2
Molecular Weight:
314.3938
IUPAC Name:
3-fluoro-4-(4-heptylphenyl)benzoic acid
InChI:
InChI=1S/C20H23FO2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)18-13-12-17(20(22)23)14-19(18)21/h8-14H,2-7H2,1H3,(H,22,23)
InChI Key:
QNVRJHBEGCBNJO-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)c1ccc(cc1F)C(=O)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.4g/mol
Monoisotopic Mass:
314.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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