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Home > Nitro Compounds > 139605-33-7
139605-33-7 | 2H-1,4-Benzoxazin-3(4H)-one, 8-nitro-
CAS No: 139605-33-7 Catalog No: AG001BCO MDL No:
Product Description
Catalog Number:
AG001BCO
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 8-nitro-
CAS Number:
139605-33-7
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
IUPAC Name:
8-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H6N2O4/c11-7-4-14-8-5(9-7)2-1-3-6(8)10(12)13/h1-3H,4H2,(H,9,11)
InChI Key:
ADAJNAAIVIRINH-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cccc2[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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