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6,7-Dichloro-5-methoxy-1h-indole-2,3-dione

HCID 237272
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Basic information

CAS
6312-99-8
Standard SMILES
COc1cc2c(c(Cl)c1Cl)NC(=O)C2=O
InChIKey
URRRAZCPEYATRQ-UHFFFAOYSA-N
Molecular formula
C9H5Cl2NO3
Average molar mass
246.04 g/mol
Monoisotopic mass
244.9646484

Names & identifiers

Preferred name
6,7-Dichloro-5-methoxy-1h-indole-2,3-dione
IUPAC
6,7-dichloro-5-methoxy-1H-indole-2,3-dione
English name
6,7-dichloro-5-methoxy-1H-indole-2,3-dione
Molecular formula
C9H5Cl2NO3
Molecular weight
246.05

Names & synonyms

6312-99-86,7-dichloro-5-methoxy-1h-indole-2,3-dioneNSC40608DTXSID00285138NSC-406081H-Indole-2,3-dione, 6,7-dichloro-5-methoxy-

Database identifiers

CAS
6312-99-8
PubChem CID
237272
DTXSID
DTXSID00285138

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
310

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