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Home > Nitro Compounds > 1006572-00-4
1006572-00-4 | 4-(4-nitro-1H-pyrazol-1-yl)butanenitrile
CAS No: 1006572-00-4 Catalog No: AG00JV1L MDL No:
Product Description
Catalog Number:
AG00JV1L
Chemical Name:
4-(4-nitro-1H-pyrazol-1-yl)butanenitrile
CAS Number:
1006572-00-4
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
IUPAC Name:
4-(4-nitropyrazol-1-yl)butanenitrile
InChI:
InChI=1S/C7H8N4O2/c8-3-1-2-4-10-6-7(5-9-10)11(12)13/h5-6H,1-2,4H2
InChI Key:
PFNWYJIZXKGSQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)CCCC#N
Properties
Complexity:
228
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:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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