BRN 1030924

2-[5-(4-chlorobutanoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid

CAS: 50332-11-1

Molecular Formula	`C16H16ClNO5`
Molecular Weight	337.75 g/mol
LogP	2.4
Topological Polar Surface Area	77.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	337.0717
Heavy Atoms	23
Complexity	473.0

Chemical Identifiers

CAS Number	50332-11-1
SMILES	`CC1=C(C2=CC3=C(C=C2N1C(=O)CCCCl)OCO3)CC(=O)O`
InChIKey	`FAGBXKXOWVYBDZ-UHFFFAOYSA-N`

📖 Product Overview

BRN 1030924 (CAS: 50332-11-1) is a chemical compound with molecular formula C16H16ClNO5 and molecular weight 337.75 g/mol. Its IUPAC systematic name is 2-[5-(4-chlorobutanoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid. LogP 2.4 Topological Polar Surface Area 77.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 337.0717 Heavy Atoms 23 Complexity 473.0 InChI Key: FAGBXKXOWVYBDZ-UHFFFAOYSA-N. SMILES: CC1=C(C2=CC3=C(C=C2N1C(=O)CCCCl)OCO3)CC(=O)O.

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