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Home > Nitro Compounds > 1170367-28-8
1170367-28-8 | 5-cyclopropyl-1-ethyl-3-nitro-pyrazole
CAS No: 1170367-28-8 Catalog No: AG019CNY MDL No:MFCD09834161
Product Description
Catalog Number:
AG019CNY
Chemical Name:
5-cyclopropyl-1-ethyl-3-nitro-pyrazole
CAS Number:
1170367-28-8
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD09834161
IUPAC Name:
5-cyclopropyl-1-ethyl-3-nitropyrazole
InChI:
InChI=1S/C8H11N3O2/c1-2-10-7(6-3-4-6)5-8(9-10)11(12)13/h5-6H,2-4H2,1H3
InChI Key:
JVYBTGLJGBEPRC-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1C1CC1)[N+](=O)[O-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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