200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 19018-96-3
19018-96-3 | Benzonitrile, 4-methoxy-3,5-dinitro-
CAS No: 19018-96-3 Catalog No: AG002EDB MDL No:
Product Description
Catalog Number:
AG002EDB
Chemical Name:
Benzonitrile, 4-methoxy-3,5-dinitro-
CAS Number:
19018-96-3
Molecular Formula:
C8H5N3O5
Molecular Weight:
223.1424
IUPAC Name:
4-methoxy-3,5-dinitrobenzonitrile
InChI:
InChI=1S/C8H5N3O5/c1-16-8-6(10(12)13)2-5(4-9)3-7(8)11(14)15/h2-3H,1H3
InChI Key:
BZWSSFZXYORCNB-UHFFFAOYSA-N
SMILES:
COc1c(cc(cc1[N+](=O)[O-])C#N)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.144g/mol
Monoisotopic Mass:
223.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.