7-Nitro-3,4-dihydro-2H-1,4-benzoxazine - CAS 120711-81-1

Catalog:	BB004943
Product Name:	7-Nitro-3,4-dihydro-2H-1,4-benzoxazine
CAS:	120711-81-1
Synonyms:	7-nitro-3,4-dihydro-2H-1,4-benzoxazine; 7-nitro-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

Patents

Computed Properties

IUPAC Name:	7-nitro-3,4-dihydro-2H-1,4-benzoxazine
Description:	7-Nitro-3,4-dihydro-2H-1,4-benzooxazine can be used as pain drugs to prevent and treat chronic pain.
Molecular Weight:	180.16
Molecular Formula:	C8H8N2O3
Canonical SMILES:	C1COC2=C(N1)C=CC(=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O3/c11-10(12)6-1-2-7-8(5-6)13-4-3-9-7/h1-2,5,9H,3-4H2
InChI Key:	YKCFDUNYLMTXFC-UHFFFAOYSA-N
Solubility:	Sparingly soluble in water (0.76 g/L at 25°C).
Appearance:	Brown solid
MDL:	MFCD11603433
LogP:	2.06030

Publication Number	Title	Priority Date
CN-107001298-A	Cation benzo-oxazine derivative and its purposes in hair dyeing	20141219
US-2018141922-A1	Benzoxazine derivatives and use in hair dyeing	20140808
CN-103382206-A	Quinoline or quinazoline derivative, its preparation method and application in medicines	20120504
US-2014201855-A1	Mutant luciferases	20110209
US-9587266-B2	Mutant luciferases	20110209

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Related Functional Groups

Benzoxazines

[1514263-64-9]
8-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[103361-99-5]
7-Fluoro-2H-1,4-benzoxazin-3(4H)-one
[107624-49-7]
3-Phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
[105679-37-6]
6,8-Dichloro-3,4-dihydro-2H-1,4-benzoxazine
[1245808-46-1]
7-Bromobenzo[d][1,3]oxazin-2(4H)-one
[132522-81-7]
5-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.05349212
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.05349212
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5