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6-Chloro-2,2-dimethyl-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

6-Chloro-2,2-dimethyl-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 327026-99-3

Catalog:	BB021370
Product Name:	6-Chloro-2,2-dimethyl-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	327026-99-3
Synonyms:	6-chloro-2,2-dimethyl-8-nitro-4H-1,4-benzoxazin-3-one; 6-chloro-2,2-dimethyl-8-nitro-4H-1,4-benzoxazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-2,2-dimethyl-8-nitro-4H-1,4-benzoxazin-3-one
Description:	6-Chloro-2,2-dimethyl-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 327026-99-3 ) is a useful research chemical.
Molecular Weight:	256.64
Molecular Formula:	C10H9ClN2O4
Canonical SMILES:	CC1(C(=O)NC2=CC(=CC(=C2O1)[N+](=O)[O-])Cl)C
InChI:	InChI=1S/C10H9ClN2O4/c1-10(2)9(14)12-6-3-5(11)4-7(13(15)16)8(6)17-10/h3-4H,1-2H3,(H,12,14)
InChI Key:	AVXRBJYQNZEJFH-UHFFFAOYSA-N
LogP:	3.01890

Publication Number	Title	Priority Date
US-2006293313-A1	New phenylpiperazines	19990823
US-2009143406-A1	New Phenylpiperazine	19990823
US-7067513-B1	Phenylpiperazines	19990823
US-7456182-B2	Phenylpiperazines	19990823
US-7605162-B2	Phenylpiperazine	19990823

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Related Functional Groups

Benzoxazines

[3026594-91-9]
(S)-8-Bromo-6-fluoro-3-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-5-amine
[10128-55-9]
N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide
[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[103361-99-5]
7-Fluoro-2H-1,4-benzoxazin-3(4H)-one
[627870-58-0]
6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[928256-37-5]
6-Methoxy-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Complexity:	355
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.0250845
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	256.0250845
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9