1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-
Basic information
- CAS
5333-90-4- Standard SMILES
Cc1ccc(Cl)c2c1C(=O)CC2- InChIKey
GGWVYVCKNJCQOC-UHFFFAOYSA-N- Molecular formula
- C10H9ClO
- Average molar mass
- 180.63 g/mol
- Monoisotopic mass
- 180.0341926
Names & identifiers
- Preferred name
- 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-
- IUPAC
- 4-chloro-7-methyl-2,3-dihydroinden-1-one
- English name
- 4-Chloro-2,3-dihydro-7-methyl-1H-inden-1-one
- Molecular formula
- C10H9ClO
- Molecular weight
- 180.63
Names & synonyms
5333-90-44-Chloro-7-methyl-1-indanone1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-NSC 2358X8LQ379GETNSC-2358NSC 25204NSC-252044-Chloro-2,3-dihydro-7-methyl-1H-inden-1-oneDTXSID9063792RefChem:438574DTXCID3041405
Show more names
4-chloro-7-methyl-2,3-dihydroinden-1-one4-Chloro-7-methyl-2,3-dihydro-1H-inden-1-one1H-Inden-1-one,3-dihydro-7-methyl-UNII-X8LQ379GETSCHEMBL18352941NSC2358GGWVYVCKNJCQOC-UHFFFAOYSA-NNSC25204
Database identifiers
- CAS
5333-90-4- PubChem CID
- 79251
- DTXSID
DTXSID9063792- UNII
- X8LQ379GET
- Nikkaji
- J421.759D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- FDA UNII
- 8 LQ379GET · X8LQ379GET
- EPA Substance Registry System
- 1 H-Inden-1-one, · 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- (5333-90-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-: INACTIVE
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Related reactions
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Compound notes
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