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Home > Nitro Compounds > 20829-97-4
20829-97-4 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 5-nitro-
CAS No: 20829-97-4 Catalog No: AG002JME MDL No:MFCD00016919
Product Description
Catalog Number:
AG002JME
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 5-nitro-
CAS Number:
20829-97-4
Molecular Formula:
C8H4N2O5
Molecular Weight:
208.1278
MDL Number:
MFCD00016919
IUPAC Name:
5-nitro-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H4N2O5/c11-7-6-4(9-8(12)15-7)2-1-3-5(6)10(13)14/h1-3H,(H,9,12)
InChI Key:
BGBLNERNAKQTDN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(=O)oc(=O)[nH]2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.129g/mol
Monoisotopic Mass:
208.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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