CC1=C(C2=C(C(=C1Br)F)OC(=N2)C3CC3)C#N
Name: 6-bromo-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile
SMILES: CC1=C(C2=C(C(=C1Br)F)OC(=N2)C3CC3)C#N

Molecular Processing

Molecular formula
C12H8BrFN2O
Molecular weight
295.11
Exact mass
293.9804
XLogP
3.79
TPSA
49.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
63.09

Supplementary Information

InChIKey: VOWZHBQDXGPRFC-UHFFFAOYSA-N
Synonyme
SCHEMBL3292443VOWZHBQDXGPRFC-UHFFFAOYSA-N6-Bromo-2-cyclopropyl-7-fluoro-5-methylbenzoxazole-4-carbonitrile6-bromo-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile
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