AG00FC1B

73043-80-8 | 7-nitro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione

AG00FC1B

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CAS Number	73043-80-8
Catalog Number	AG00FC1B(AGN-PC-0WCYTN)
Chemical Name	7-nitro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
IUPAC Name	1-methyl-7-nitro-3,1-benzoxazine-2,4-dione
InChI	InChI=1S/C9H6N2O5/c1-10-7-4-5(11(14)15)2-3-6(7)8(12)16-9(10)13/h2-4H,1H3
InChI Key	MULNCJWAVSDEKJ-UHFFFAOYSA-N
MDL Number	MFCD18432729
Molecular Formula	C9H6N2O5
Molecular Weight	222.1543
SMILES	O=C(N(C)C1=CC([N+]([O-])=O)=CC=C12)OC2=O
Synonyms	1-methyl-7-nitroisatoic anhydride, 1-methyl-7-nitroisatoic anhydride, 73043-80-8, 7-nitro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione, 1-methyl-7-nitro-2H-3,1-benzoxazine-2,4(1H)-dione, 1-methyl-7-nitro-1H-benzo[d][1,3]oxazine-2,4-dione, 1M7, SCHEMBL13508679, 1-Methyl-7-nitroisatoicanhydride, CHEBI:60343, MULNCJWAVSDEKJ-UHFFFAOYSA-N, HY-D0913, KS-00001FD7, MFCD18432729, ZINC39243638, AKOS027338109, CS-5251, ES-2014, AK340087, SC-65653, 1-methyl-7-nitro-3,1-benzoxazine-2,4-dione, 1-methyl-7-nitro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.028g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.156g/mol
Monoisotopic Mass	222.028g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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