200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1001500-47-5
1001500-47-5 | 1H-Pyrazole-1-acetonitrile, 4-nitro-
CAS No: 1001500-47-5 Catalog No: AG00013W MDL No:MFCD04969696
Product Description
Catalog Number:
AG00013W
Chemical Name:
1H-Pyrazole-1-acetonitrile, 4-nitro-
CAS Number:
1001500-47-5
Molecular Formula:
C5H4N4O2
Molecular Weight:
152.1109
MDL Number:
MFCD04969696
IUPAC Name:
2-(4-nitropyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C5H4N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,2H2
InChI Key:
LFQFUHCPOAKRLD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)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:
-0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.