200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 835653-10-6
835653-10-6 | 1H-Pyrazole, compd. with nitrobenzene (1:1)
CAS No: 835653-10-6 Catalog No: AG004UG0 MDL No:
Product Description
Catalog Number:
AG004UG0
Chemical Name:
1H-Pyrazole, compd. with nitrobenzene (1:1)
CAS Number:
835653-10-6
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
nitrobenzene;1H-pyrazole
InChI:
InChI=1S/C6H5NO2.C3H4N2/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-3H,(H,4,5)
InChI Key:
MRICEAZEIATFDQ-UHFFFAOYSA-N
SMILES:
c1ccn[nH]1.[O-][N+](=O)c1ccccc1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.