Basic information
- CAS
73110-56-2- Standard SMILES
Clc1ccc(C2CCc3cc(Cl)ccc3O2)cc1- InChIKey
WDNAQQJUMPVRGM-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2O
- Average molar mass
- 279.2 g/mol
- Monoisotopic mass
- 278.0265204
Overview
antirhinovirus cpd; structure given in first source
Names & identifiers
- Preferred name
- 6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
- IUPAC
- 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-chromene
- English name
- 4',6-dichloroflavan
- Molecular formula
- C15H12Cl2O
- Molecular weight
- 279.16
Names & synonyms
4',6-Dichloroflavan73110-56-22H-1-Benzopyran, 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-DTXSID809938606-CHLORO-2-(4-CHLOROPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRANRefChem:913874DTXCID401420902BW683C6,4'-Dichloroflavan; BW 683C; BW 683C776,4'-DichloroflavanBW 683CBRN 5750146
Show more names
SW-683C
BW-683C3,4-Dihydro-6-chloro-2-(4-chlorophenyl)-2H-1-benzopyran8GT8ZYU2N5CHEMBL29441SCHEMBL44617372H-1-Benzopyran, 3,4-dihydro-6-chloro-2-(4-chlorophenyl)-6-chloro-2-(4-chlorophenyl)chromane
Database identifiers
- CAS
73110-56-2- PubChem CID
- 126331
- DTXSID
DTXSID80993860- ChEMBL
CHEMBL29441- UNII
- 8GT8ZYU2N5
- Nikkaji
- J362.773J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 402.7 · 402.7±45.0 °C(Predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…