200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1004643-51-9
1004643-51-9 | 2-ethyl-4-nitro-pyrazole-3-carbonitrile
CAS No: 1004643-51-9 Catalog No: AG019CYV MDL No:MFCD04970010
Product Description
Catalog Number:
AG019CYV
Chemical Name:
2-ethyl-4-nitro-pyrazole-3-carbonitrile
CAS Number:
1004643-51-9
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD04970010
IUPAC Name:
2-ethyl-4-nitropyrazole-3-carbonitrile
InChI:
InChI=1S/C6H6N4O2/c1-2-9-5(3-7)6(4-8-9)10(11)12/h4H,2H2,1H3
InChI Key:
WZILMQGTSBVSSN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1C#N)CC
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:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.