6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride

CAS: 57462-68-7

Molecular Formula	`C15H20Cl2N2O2`
Molecular Weight	331.2 g/mol
Topological Polar Surface Area	34.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	330.09018
Heavy Atoms	21
Complexity	360.0

Chemical Identifiers

CAS Number	57462-68-7
SMILES	`CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC[NH+]3CCCC3.[Cl-]`
InChIKey	`DAHSCMLJGRYAKQ-UHFFFAOYSA-N`

📖 Product Overview

6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride (CAS: 57462-68-7) is a chemical compound with molecular formula C15H20Cl2N2O2 and molecular weight 331.2 g/mol. Its IUPAC systematic name is 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride. Topological Polar Surface Area 34.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 330.09018 Heavy Atoms 21 Complexity 360.0 InChI Key: DAHSCMLJGRYAKQ-UHFFFAOYSA-N. SMILES: CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC[NH+]3CCCC3.[Cl-].

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