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Home > Nitro Compounds > 1240568-27-7
1240568-27-7 | 3-nitro-1-[2-(4-nitrophenyl)ethyl]-1H-pyrazole
CAS No: 1240568-27-7 Catalog No: AG00JUYV MDL No:MFCD16810596
Product Description
Catalog Number:
AG00JUYV
Chemical Name:
3-nitro-1-[2-(4-nitrophenyl)ethyl]-1H-pyrazole
CAS Number:
1240568-27-7
Molecular Formula:
C11H10N4O4
Molecular Weight:
262.2215
MDL Number:
MFCD16810596
IUPAC Name:
3-nitro-1-[2-(4-nitrophenyl)ethyl]pyrazole
InChI:
InChI=1S/C11H10N4O4/c16-14(17)10-3-1-9(2-4-10)5-7-13-8-6-11(12-13)15(18)19/h1-4,6,8H,5,7H2
InChI Key:
ACKMUGZRBMTVKW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CCn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.225g/mol
Monoisotopic Mass:
262.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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