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Home > Nitro Compounds > 62969-01-1
62969-01-1 | 4,6-Dinitro-benzopyrazole
CAS No: 62969-01-1 Catalog No: AG00J9H3 MDL No:MFCD00514202
Product Description
Catalog Number:
AG00J9H3
Chemical Name:
4,6-Dinitro-benzopyrazole
CAS Number:
62969-01-1
Molecular Formula:
C7H4N4O4
Molecular Weight:
208.1311
MDL Number:
MFCD00514202
IUPAC Name:
4,6-dinitro-1H-indazole
InChI:
InChI=1S/C7H4N4O4/c12-10(13)4-1-6-5(3-8-9-6)7(2-4)11(14)15/h1-3H,(H,8,9)
InChI Key:
XDUJSJUGOHAQFZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2[nH]ncc2c(c1)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.133g/mol
Monoisotopic Mass:
208.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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