Basic information
- CAS
80272-27-1- Standard SMILES
O=C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21- InChIKey
KNKXPMHZNDQQHO-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2O
- Average molar mass
- 277.1 g/mol
- Monoisotopic mass
- 276.0108703
Names & identifiers
- Preferred name
- 3-(3,4-Dichlorophenyl)indan-1-one
- IUPAC
- 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one
- English name
- 3-(3,4-dichlorophenyl)indan-1-one
- Molecular formula
- C15H10Cl2O
- Molecular weight
- 277.15
Names & synonyms
3-(3,4-Dichlorophenyl)indan-1-one80272-27-13-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-one3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-oneEINECS 279-437-63-(3,4-dichlorophenyl)-1-indanoneSCHEMBL5709329DTXSID501001131MFCD22683184AKOS0052165843-(3,4-Dichloro-phenyl)-indan-1-oneNS00060715
Show more names
2,3-Dihydro-3-(3,4-dichlorophenyl)-1H-inden-1-one1H-Inden-1-one, 3-(3,4-dichlorophenyl)-2,3-dihydro-
3-(3,4-dichlorophenyl)-2,3-dihydro-inden-1-one
Database identifiers
- CAS
80272-27-1- PubChem CID
- 3018924
- DTXSID
DTXSID501001131- EC Number
- 279-437-6
- Nikkaji
- J320.253D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 113 · 113-115 °C
- Boiling point
- 384.9 · 384.9±42.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
德州博腾精细化工有限公司[email protected]
Related reactions
2 records
Compound notes
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