Acetic acid, 6,7-dichloro-2,2-dimethyl-1-oxo-5-indanyloxy-
Basic information
- CAS
53107-41-8- Standard SMILES
CC1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O- InChIKey
MGJRWQJNPCGVRH-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2O4
- Average molar mass
- 303.13 g/mol
- Monoisotopic mass
- 302.0112642
Names & identifiers
- Preferred name
- Acetic acid, 6,7-dichloro-2,2-dimethyl-1-oxo-5-indanyloxy-
- IUPAC
- 2-[(6,7-dichloro-2,2-dimethyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
- English name
- (6,7-Dichloro-2,2-dimethyl-1-oxoindan-5-yl)oxyacetic acid
- Molecular formula
- C13H12Cl2O4
- Molecular weight
- 303.14
Names & synonyms
53107-41-8BRN 1888218ACETIC ACID, 6,7-DICHLORO-2,2-DIMETHYL-1-OXO-5-INDANYLOXY-6,7-Dichloro-2,2-dimethyl-1-oxo-5-indanyloxyacetic acidDTXSID20201193RefChem:316539DTXCID20123684(6,7-Dichloro-2,2-dimethyl-1-oxoindan-5-yl)oxyacetic acidCHEMBL3278194SCHEMBL11254806DB-322030[(6,7-Dichloro-2,2-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid
Show more names
Acetic acid, 2-[(6,7-dichloro-2,3-dihydro-2,2-dimethyl-1-oxo-1H-inden-5-yl)oxy]-
Database identifiers
- CAS
53107-41-8- PubChem CID
- 40618
- DTXSID
DTXSID20201193- ChEMBL
CHEMBL3278194- Nikkaji
- J86.153G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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