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Home > Nitro Compounds > 1006568-14-4
1006568-14-4 | 3-(3-Nitro-1H-pyrazol-1-yl)propanenitrile
CAS No: 1006568-14-4 Catalog No: AG00H9AD MDL No:MFCD02029244
Product Description
Catalog Number:
AG00H9AD
Chemical Name:
3-(3-Nitro-1H-pyrazol-1-yl)propanenitrile
CAS Number:
1006568-14-4
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD02029244
IUPAC Name:
3-(3-nitropyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C6H6N4O2/c7-3-1-4-9-5-2-6(8-9)10(11)12/h2,5H,1,4H2
InChI Key:
UCIMSXFQJXRPGJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCC#N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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