CC1=C(C(=C(C(=C1Br)F)O)N)C#N
الاسم: 2-amino-5-bromo-4-fluoro-3-hydroxy-6-methylbenzonitrile
SMILES: CC1=C(C(=C(C(=C1Br)F)O)N)C#N

Molecular Processing

Molecular formula
C8H6BrFN2O
Molecular weight
245.05
Exact mass
243.9648
XLogP
2.06
TPSA
70.04
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49.63

Supplementary Information

InChIKey: SDRXWXSOGFPDBD-UHFFFAOYSA-N
مرادفات
SCHEMBL33008072-Amino-5-bromo-4-fluoro-3-hydroxy-6-methylbenzonitrileSDRXWXSOGFPDBD-UHFFFAOYSA-N
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