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Home > Nitro Compounds > 73043-80-8
73043-80-8 | 7-nitro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
CAS No: 73043-80-8 Catalog No: AG00FC1B MDL No:MFCD18432729
Product Description
Catalog Number:
AG00FC1B
Chemical Name:
7-nitro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
CAS Number:
73043-80-8
Molecular Formula:
C9H6N2O5
Molecular Weight:
222.1543
MDL Number:
MFCD18432729
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
SMILES:
O=c1oc(=O)c2c(n1C)cc(cc2)[N+](=O)[O-]
Properties
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
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