6-Bromo-8-chloro-7-isopropoxy-4-isopropyl-2,2-dimethyl-2H-chromene
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Basic information
- Standard SMILES
CC(C)Oc1c(Br)cc2c(c1Cl)OC(C)(C)C=C2C(C)C- InChIKey
GMTYDTIAPTWZSZ-UHFFFAOYSA-N- Molecular formula
- C17H22BrClO2
- Average molar mass
- 373.7 g/mol
- Monoisotopic mass
- 372.04917
Names & identifiers
- Preferred name
- 6-Bromo-8-chloro-7-isopropoxy-4-isopropyl-2,2-dimethyl-2H-chromene
- IUPAC
- 6-bromo-8-chloro-2,2-dimethyl-4-propan-2-yl-7-propan-2-yloxychromene
Names & synonyms
SCHEMBL6279556GMTYDTIAPTWZSZ-UHFFFAOYSA-N6-Bromo-8-chloro-7-isopropoxy-4-isopropyl-2,2-dimethyl-2H-chromene
Database identifiers
- PubChem CID
- 22490952
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
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Related reactions
4 records
Compound notes
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