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Home > Nitro Compounds > 81721-87-1
81721-87-1 | 6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS No: 81721-87-1 Catalog No: AG00518F MDL No:MFCD03425744
Product Description
Catalog Number:
AG00518F
Chemical Name:
6-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS Number:
81721-87-1
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
MDL Number:
MFCD03425744
IUPAC Name:
6-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H6N2O4/c11-8-4-14-7-2-1-5(10(12)13)3-6(7)9-8/h1-3H,4H2,(H,9,11)
InChI Key:
UNYXDJBNODSRRC-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)[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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