(4,5-diacetyloxy-2-chloro-3-formyl-6-methyl-1H-indol-7-yl) acetate

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Basic information

CAS: 73355-43-8
Standard SMILES: CC(=O)Oc1c(C)c(OC(C)=O)c2[nH]c(Cl)c(C=O)c2c1OC(C)=O
InChIKey: OCHPYSPPYXSVQB-UHFFFAOYSA-N
Molecular formula: C16H14ClNO7
Average molar mass: 367.74 g/mol
Monoisotopic mass: 367.0458795

Names & identifiers

Preferred name: (4,5-diacetyloxy-2-chloro-3-formyl-6-methyl-1H-indol-7-yl) acetate
IUPAC: (4,5-diacetyloxy-2-chloro-3-formyl-6-methyl-1H-indol-7-yl) acetate
English name: (4,7-diacetyloxy-2-chloro-3-formyl-6-methyl-1H-indol-5-yl) acetate
Molecular formula: C16H14ClNO7
Molecular weight: 0

Names & synonyms

73355-43-8NSC315182DTXSID00317382AG-G-89942NSC-3151822-Chloro-3-formyl-6-methyl-1H-indole-4,5,7-triyl triacetate(4,7-diacetyloxy-2-chloro-3-formyl-6-methyl-1H-indol-5-yl) acetate

Database identifiers

CAS: 73355-43-8
PubChem CID: 329923
DTXSID: DTXSID00317382

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 112 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 569

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Compound notes

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