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Home > Fluorides > 113638-54-3
113638-54-3 | 2-Propenoic acid, 3-(4'-fluoro-3,3',5-trimethyl[1,1'-biphenyl]-2-yl)-
CAS No: 113638-54-3 Catalog No: AG00096H MDL No:
Product Description
Catalog Number:
AG00096H
Chemical Name:
2-Propenoic acid, 3-(4'-fluoro-3,3',5-trimethyl[1,1'-biphenyl]-2-yl)-
CAS Number:
113638-54-3
Molecular Formula:
C18H17FO2
Molecular Weight:
284.3248
IUPAC Name:
3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-2-enoic acid
InChI:
InChI=1S/C18H17FO2/c1-11-8-12(2)15(5-7-18(20)21)16(9-11)14-4-6-17(19)13(3)10-14/h4-10H,1-3H3,(H,20,21)
InChI Key:
OEDHATLVQMYCIN-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1c(C)cc(cc1c1ccc(c(c1)C)F)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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