(5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2,2-dichloroacetate

CAS: 82531-55-3

Molecular Formula	`C7H7Cl2N3O6`
Molecular Weight	300.05 g/mol
LogP	0.5
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	298.9712
Heavy Atoms	18
Complexity	422.0

Chemical Identifiers

CAS Number	82531-55-3
SMILES	`CC1(C(NC(=O)NC1=O)OC(=O)C(Cl)Cl)[N+](=O)[O-]`
InChIKey	`XHNRVDJBGSWOTP-UHFFFAOYSA-N`

📖 Product Overview

(5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2,2-dichloroacetate (CAS: 82531-55-3) is a chemical compound with molecular formula C7H7Cl2N3O6 and molecular weight 300.05 g/mol. Its IUPAC systematic name is (5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2,2-dichloroacetate. LogP 0.5 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 298.9712 Heavy Atoms 18 Complexity 422.0 InChI Key: XHNRVDJBGSWOTP-UHFFFAOYSA-N. SMILES: CC1(C(NC(=O)NC1=O)OC(=O)C(Cl)Cl)[N+](=O)[O-].

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📚 Academic Support

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