COC1=C(C(=C(C(=C1N)F)C2=CC=CC=C2)Br)C#N
名称: 5-amino-2-bromo-4-fluoro-6-methoxy-3-phenylbenzonitrile
SMILES: COC1=C(C(=C(C(=C1N)F)C2=CC=CC=C2)Br)C#N

Molecular Processing

Molecular formula
C14H10BrFN2O
Molecular weight
321.15
Exact mass
319.9961
XLogP
3.72
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
75.22

Supplementary Information

InChIKey: WAFNHLVXRJBSNX-UHFFFAOYSA-N
同義語
SCHEMBL3293557WAFNHLVXRJBSNX-UHFFFAOYSA-N5-Amino-2-bromo-6-fluoro-4-methoxybiphenyl-3-carbonitrile
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