Acetic acid, 6,7-dichloro-2-methyl-1-oxo-5-indanyloxy-

HCID 33795

Notes Reactions

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Basic information

CAS: 27366-35-4
Standard SMILES: CC1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O
InChIKey: LUDKBHINORQIBS-UHFFFAOYSA-N
Molecular formula: C12H10Cl2O4
Average molar mass: 289.11 g/mol
Monoisotopic mass: 287.9956142

Names & identifiers

Preferred name: Acetic acid, 6,7-dichloro-2-methyl-1-oxo-5-indanyloxy-
IUPAC: 2-[(6,7-dichloro-2-methyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetic acid

Names & synonyms

BRN 18862516,7-Dichloro-2-methyl-1-oxo-5-indanyloxyacetic acid27366-35-4ACETIC ACID, 6,7-DICHLORO-2-METHYL-1-OXO-5-INDANYLOXY-RefChem:316544CHEMBL3278169SCHEMBL11603610DTXSID50950066LUDKBHINORQIBS-UHFFFAOYSA-N(1-oxo-2-methyl-6,7-dichloro-5-indanyloxy)acetic acid[(6,7-dichloro-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid

Database identifiers

CAS: 27366-35-4
PubChem CID: 33795
DTXSID: DTXSID50950066
ChEMBL: CHEMBL3278169
Nikkaji: J54.199K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 360

Related reactions

1 records

New reaction record

HRID 1834695As reactantuspto-grants-1978_01

Compound notes

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