AG00518F

81721-87-1 | 6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

AG00518F

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CAS Number	81721-87-1
Catalog Number	AG00518F(AGN-PC-0KKPPH)
Chemical Name	6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
IUPAC Name	6-nitro-4H-1,4-benzoxazin-3-one
InChI	InChI=1S/C8H6N2O4/c11-8-4-14-7-2-1-5(10(12)13)3-6(7)9-8/h1-3H,4H2,(H,9,11)
InChI Key	UNYXDJBNODSRRC-UHFFFAOYSA-N
MDL Number	MFCD03425744
Molecular Formula	C8H6N2O4
Molecular Weight	194.1442
SMILES	[N+](=O)([O-])C=1C=CC2=C(NC(CO2)=O)C1
Synonyms	6-Nitro-2H-1,4-benzoxazin-3(4H)-one, 81721-87-1, 6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one, 6-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one, 6-Nitro-4H-benzo[1,4]oxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 6-nitro-, UNYXDJBNODSRRC-UHFFFAOYSA-N, 6-nitro-4H-1,4-benzoxazin-3-one, AC1MC8NY, ACMC-209pm5, AC1Q1Y6Q, SCHEMBL304014, CTK3E4071, DTXSID10377093, ZINC168432, KS-00000K7J, ANW-37467, MFCD03425744, SBB056033, STK661392, AKOS001299198, 6-nitro-2H-benzo[1,4]oxazin-3-one, AB14692, MCULE-8894893056, RP11455, 6-nitro-4-H-benzo[1,4]oxazin-3-one, UPCMLD0ENAT5685869:001, AJ-16869, 6-nitro-2H-1,4-benzooxazin-3(4H)-one, 6-Nitro-2H-[1,4]benzoxazin-3(4H)-one, AB0076815, ST4132142, TR-025656, 6-nitro-2,4-dihydro-1,4-benzoxazin-3-one, 6-nitro-2H,4H-benzo[e]1,4-oxazin-3-one, FT-0653422, N0999, V7862, (2H-1,4-Benzoxazin-3(4H)-one, 6-nitro-, EN300-26170, C-4278, 6-Nitro-2H-1,4-benzoxazin-3(4H)-one, 97%, 2T-0299, 3-Oxo-6-nitro-3,4-dihydro-2H-1,4-benzoxazine, A840187, AK-198/11159001, 6-nitro-2H,4H-benzo[e]1,4-oxazaperhydroin-3-one, 6-nitro-3-oxo-3,4-dihydro-(2H)-1,4-benzoxazine, J-518953, S14-0053, A4147/0176696, C8H6N2O4, ZINC00168432, CID2763683, 74668-74-9,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.033g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.146g/mol
Monoisotopic Mass	194.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	84.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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