4-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran

HCID 10244628

Basic information

Standard SMILES
CC1(C)CC(Br)c2cc(C#N)ccc2O1
InChIKey
IIBHQTXJTUSHBK-UHFFFAOYSA-N
Molecular formula
C12H12BrNO
Average molar mass
266.13 g/mol

Names & identifiers

Preferred name
4-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
IUPAC
4-bromo-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile

Names & synonyms

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

Database identifiers

PubChem CID
10244628

Properties

Computed structural properties

XLogP
3
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
15

Related reactions

15 records

Compound notes

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