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Home > Nitro Compounds > 1004644-25-0
1004644-25-0 | 1-ethyl-3-methyl-5-nitro-pyrazole
CAS No: 1004644-25-0 Catalog No: AG019CYI MDL No:MFCD04971160
Product Description
Catalog Number:
AG019CYI
Chemical Name:
1-ethyl-3-methyl-5-nitro-pyrazole
CAS Number:
1004644-25-0
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD04971160
IUPAC Name:
1-ethyl-3-methyl-5-nitropyrazole
InChI:
InChI=1S/C6H9N3O2/c1-3-8-6(9(10)11)4-5(2)7-8/h4H,3H2,1-2H3
InChI Key:
SCZYYPCEGOVBBU-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1[N+](=O)[O-])C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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