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Home > Nitro Compounds > 1855889-74-5
1855889-74-5 | (2-ETHYL-5-NITRO-2H-PYRAZOL-3-YL)-ACETONITRILE
CAS No: 1855889-74-5 Catalog No: AG01DZ5C MDL No:MFCD29060610
Product Description
Catalog Number:
AG01DZ5C
Chemical Name:
(2-ETHYL-5-NITRO-2H-PYRAZOL-3-YL)-ACETONITRILE
CAS Number:
1855889-74-5
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
MDL Number:
MFCD29060610
IUPAC Name:
2-(2-ethyl-5-nitropyrazol-3-yl)acetonitrile
InChI:
InChI=1S/C7H8N4O2/c1-2-10-6(3-4-8)5-7(9-10)11(12)13/h5H,2-3H2,1H3
InChI Key:
NXCVQNVPWGTXET-UHFFFAOYSA-N
SMILES:
N#CCc1cc(nn1CC)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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