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Home > Nitro Compounds > 63480-10-4
63480-10-4 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 7-nitro-
CAS No: 63480-10-4 Catalog No: AG00IB83 MDL No:MFCD00798220
Product Description
Catalog Number:
AG00IB83
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 7-nitro-
CAS Number:
63480-10-4
Molecular Formula:
C8H4N2O5
Molecular Weight:
208.1278
MDL Number:
MFCD00798220
IUPAC Name:
7-nitro-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H4N2O5/c11-7-5-2-1-4(10(13)14)3-6(5)9-8(12)15-7/h1-3H,(H,9,12)
InChI Key:
KCNIWFFVWBXWAV-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2cc(ccc2c(=O)o1)[N+](=O)[O-]
NSC Number:
135175
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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