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Home > Nitro Compounds > 132522-81-7
132522-81-7 | 2H-1,4-Benzoxazin-3(4H)-one, 5-nitro-
CAS No: 132522-81-7 Catalog No: AG0010SO MDL No:MFCD11100144
Product Description
Catalog Number:
AG0010SO
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 5-nitro-
CAS Number:
132522-81-7
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
MDL Number:
MFCD11100144
IUPAC Name:
5-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H6N2O4/c11-7-4-14-6-3-1-2-5(10(12)13)8(6)9-7/h1-3H,4H2,(H,9,11)
InChI Key:
MJMKRYIJNBIITM-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)c(ccc2)[N+](=O)[O-]
Properties
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
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