CC1(CC(C2=C(O1)C=CC(=C2)C#N)Br)C
Name: 4-bromo-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
SMILES: CC1(CC(C2=C(O1)C=CC(=C2)C#N)Br)C

Molecular Processing

Molecular formula
C12H12BrNO
Molecular weight
266.14
Exact mass
265.0102
XLogP
3.56
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.15

Supplementary Information

InChIKey: IIBHQTXJTUSHBK-UHFFFAOYSA-N
Synonyme
SCHEMBL6559220IIBHQTXJTUSHBK-UHFFFAOYSA-N4-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran2,2-dimethyl-4-bromo-6-cyanochroman4-bromo-6-cyano-2,2-dimethylchroman4-Bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H- 1-benzopyran6-cyano-3,4-dihydro-2,2-dimethyl-4-bromo-2H-1-benzopyran
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