5H-1,3-Dioxolo(4,5-b)carbazole, 6,7,8,9-tetrahydro-5-(m-chlorobenzoyl)-

HCID 39624

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Basic information

CAS: 50332-22-4
Standard SMILES: O=C(c1cccc(Cl)c1)n1c2c(c3cc4c(cc31)OCO4)CCCC2
InChIKey: JOJZXJOMLHABPO-UHFFFAOYSA-N
Molecular formula: C20H16ClNO3
Average molar mass: 353.8 g/mol
Monoisotopic mass: 353.0818711

Names & identifiers

Preferred name: 5H-1,3-Dioxolo(4,5-b)carbazole, 6,7,8,9-tetrahydro-5-(m-chlorobenzoyl)-
IUPAC: (3-chlorophenyl)-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone
English name: 5-(3-Chlorobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazole
Molecular formula: C20H16ClNO3
Molecular weight: 353.8

Names & synonyms

50332-22-4BRN 10370465H-1,3-DIOXOLO(4,5-b)CARBAZOLE, 6,7,8,9-TETRAHYDRO-5-(m-CHLOROBENZOYL)-DTXSID701983675-(m-Chlorobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo(4,5-b)carbazoleRefChem:305227DTXCID001208585-(3-Chlorobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazoleDB-263305(3-Chlorophenyl)(6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-b]carbazol-5-yl)methanoneMethanone, (3-chlorophenyl)(6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazol-5-yl)-

Database identifiers

CAS: 50332-22-4
PubChem CID: 39624
DTXSID: DTXSID70198367
Nikkaji: J83.720B

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 25
Formal charge: 0
Complexity: 529

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