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Home > Nitro Compounds > 169266-56-2
169266-56-2 | 4-(3-nitro-1H-pyrazol-1-yl)butanenitrile
CAS No: 169266-56-2 Catalog No: AG00JUZI MDL No:MFCD02029269
Product Description
Catalog Number:
AG00JUZI
Chemical Name:
4-(3-nitro-1H-pyrazol-1-yl)butanenitrile
CAS Number:
169266-56-2
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
MDL Number:
MFCD02029269
IUPAC Name:
4-(3-nitropyrazol-1-yl)butanenitrile
InChI:
InChI=1S/C7H8N4O2/c8-4-1-2-5-10-6-3-7(9-10)11(12)13/h3,6H,1-2,5H2
InChI Key:
JVTUQOQNCLAGMN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)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:
0.4
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