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Home > Nitro Compounds > 2912-55-2
2912-55-2 | 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-nitro-
CAS No: 2912-55-2 Catalog No: AG002XEA MDL No:MFCD30488882
Product Description
Catalog Number:
AG002XEA
Chemical Name:
2H-1,3-Benzoxazine-2,4(3H)-dione, 6-nitro-
CAS Number:
2912-55-2
Molecular Formula:
C8H4N2O5
Molecular Weight:
208.1278
MDL Number:
MFCD30488882
IUPAC Name:
6-nitro-1,3-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H4N2O5/c11-7-5-3-4(10(13)14)1-2-6(5)15-8(12)9-7/h1-3H,(H,9,11,12)
InChI Key:
SBAMYDGWXQMALO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH]c(=O)o2
NSC Number:
50117
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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