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Home > Nitro Compounds > 1006499-87-1
1006499-87-1 | 3-nitro-1-[(4-nitrophenyl)methyl]-1H-pyrazole
CAS No: 1006499-87-1 Catalog No: AG00JUZZ MDL No:MFCD03165031
Product Description
Catalog Number:
AG00JUZZ
Chemical Name:
3-nitro-1-[(4-nitrophenyl)methyl]-1H-pyrazole
CAS Number:
1006499-87-1
Molecular Formula:
C10H8N4O4
Molecular Weight:
248.1949
MDL Number:
MFCD03165031
IUPAC Name:
3-nitro-1-[(4-nitrophenyl)methyl]pyrazole
InChI:
InChI=1S/C10H8N4O4/c15-13(16)9-3-1-8(2-4-9)7-12-6-5-10(11-12)14(17)18/h1-6H,7H2
InChI Key:
SUOPQRNPBZCLAS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.198g/mol
Monoisotopic Mass:
248.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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