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Home > Nitro Compounds > 1240574-41-7
1240574-41-7 | 2-(4-nitro-1H-pyrazol-1-yl)-1-(4-nitrophenyl)ethan-1-one
CAS No: 1240574-41-7 Catalog No: AG00JV16 MDL No:MFCD16810700
Product Description
Catalog Number:
AG00JV16
Chemical Name:
2-(4-nitro-1H-pyrazol-1-yl)-1-(4-nitrophenyl)ethan-1-one
CAS Number:
1240574-41-7
Molecular Formula:
C11H8N4O5
Molecular Weight:
276.2050
MDL Number:
MFCD16810700
IUPAC Name:
1-(4-nitrophenyl)-2-(4-nitropyrazol-1-yl)ethanone
InChI:
InChI=1S/C11H8N4O5/c16-11(7-13-6-10(5-12-13)15(19)20)8-1-3-9(4-2-8)14(17)18/h1-6H,7H2
InChI Key:
WYRUJCHZOHXFJD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Cn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.049g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.208g/mol
Monoisotopic Mass:
276.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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