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Home > Nitro Compounds > 90953-15-4
90953-15-4 | 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile
CAS No: 90953-15-4 Catalog No: AG00H1WD MDL No:MFCD04967415
Product Description
Catalog Number:
AG00H1WD
Chemical Name:
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile
CAS Number:
90953-15-4
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
MDL Number:
MFCD04967415
IUPAC Name:
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C8H10N4O2/c1-6-8(12(13)14)7(2)11(10-6)5-3-4-9/h3,5H2,1-2H3
InChI Key:
BUUJWGBLSFNDPS-UHFFFAOYSA-N
SMILES:
N#CCCn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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