5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(m-chlorobenzoyl)-6-methyl-

HCID 39611

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Basic information

CAS: 50332-00-8
Standard SMILES: Cc1c(CC(=O)O)c2cc3c(cc2n1C(=O)c1cccc(Cl)c1)OCO3
InChIKey: OVCHWDFMWVYZBO-UHFFFAOYSA-N
Molecular formula: C19H14ClNO5
Average molar mass: 371.8 g/mol
Monoisotopic mass: 371.0560502

Names & identifiers

Preferred name: 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(m-chlorobenzoyl)-6-methyl-
IUPAC: 2-[5-(3-chlorobenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
English name: 5-(3-Chlorobenzoyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid
Molecular formula: C19H14ClNO5
Molecular weight: 371.77

Names & synonyms

50332-00-8BRN 10440195H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 5-(m-CHLOROBENZOYL)-6-METHYL-DTXSID701983475-(3-Chlorobenzoyl)-6-methyl-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid5-(3-Chlorobenzoyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acidRefChem:305239DTXCID00120838DB-263306[5-(3-Chlorobenzoyl)-6-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid5H-1,3-Dioxolo[4,5-f]indole-7-acetic acid, 5-(3-chlorobenzoyl)-6-methyl-

Database identifiers

CAS: 50332-00-8
PubChem CID: 39611
DTXSID: DTXSID70198347
Nikkaji: J83.734B

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 572

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