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Home > Nitro Compounds > 141068-80-6
141068-80-6 | 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-7-nitro-
CAS No: 141068-80-6 Catalog No: AG001FU2 MDL No:
Product Description
Catalog Number:
AG001FU2
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-7-nitro-
CAS Number:
141068-80-6
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
4-methyl-7-nitro-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H8N2O4/c1-10-7-3-2-6(11(13)14)4-8(7)15-5-9(10)12/h2-4H,5H2,1H3
InChI Key:
ZBHRAYSDUNQXKV-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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