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Home > Nitro Compounds > 1006956-03-1
1006956-03-1 | (3-nitro-1H-pyrazol-1-yl)acetonitrile
CAS No: 1006956-03-1 Catalog No: AG00JDC4 MDL No:MFCD04969694
Product Description
Catalog Number:
AG00JDC4
Chemical Name:
(3-nitro-1H-pyrazol-1-yl)acetonitrile
CAS Number:
1006956-03-1
Molecular Formula:
C5H4N4O2
Molecular Weight:
152.1109
MDL Number:
MFCD04969694
IUPAC Name:
2-(3-nitropyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C5H4N4O2/c6-2-4-8-3-1-5(7-8)9(10)11/h1,3H,4H2
InChI Key:
XCZUZAPVPZFWQM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CC#N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.113g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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