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Home > Nitro Compounds > 1260659-25-3
1260659-25-3 | (1-METHYL-3-NITRO-1H-PYRAZOL-5-YL)ACETONITRILE
CAS No: 1260659-25-3 Catalog No: AG01AOLE MDL No:MFCD18262401
Product Description
Catalog Number:
AG01AOLE
Chemical Name:
(1-METHYL-3-NITRO-1H-PYRAZOL-5-YL)ACETONITRILE
CAS Number:
1260659-25-3
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD18262401
IUPAC Name:
2-(2-methyl-5-nitropyrazol-3-yl)acetonitrile
InChI:
InChI=1S/C6H6N4O2/c1-9-5(2-3-7)4-6(8-9)10(11)12/h4H,2H2,1H3
InChI Key:
XAKKZGDNWLSKKN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n(n1)C)CC#N
Properties
Complexity:
227
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:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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