CC(=CC(=O)O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F
이름: 3-[4-(2,4-difluorophenyl)phenyl]but-2-enoic acid
SMILES: CC(=CC(=O)O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F

Molecular Processing

Molecular formula
C16H12F2O2
Molecular weight
274.27
Exact mass
274.0805
XLogP
4.12
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
73.08

Supplementary Information

InChIKey: KRRRAJHNRJUELJ-UHFFFAOYSA-N
동의어
SCHEMBL11543655KRRRAJHNRJUELJ-UHFFFAOYSA-N3-(2',4'-difluoro-4-biphenylyl)-2-butenoic acid
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