6-nitro-3-propyl-2H-1,3-benzoxazin-4-one

CAS: 20973-06-2

Molecular Formula	`C11H12N2O4`
Molecular Weight	236.22 g/mol
LogP	1.9
Topological Polar Surface Area	75.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	236.07971
Heavy Atoms	17
Complexity	315.0

Chemical Identifiers

CAS Number	20973-06-2
SMILES	`CCCN1COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]`
InChIKey	`MPOXZAJKGVAEAB-UHFFFAOYSA-N`

📖 Product Overview

6-nitro-3-propyl-2H-1,3-benzoxazin-4-one (CAS: 20973-06-2) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.22 g/mol. Its IUPAC systematic name is 6-nitro-3-propyl-2H-1,3-benzoxazin-4-one. LogP 1.9 Topological Polar Surface Area 75.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 236.07971 Heavy Atoms 17 Complexity 315.0 InChI Key: MPOXZAJKGVAEAB-UHFFFAOYSA-N. SMILES: CCCN1COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-].

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