200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 155593-11-6
155593-11-6 | Benzeneacetonitrile, 2,6-dinitro-
CAS No: 155593-11-6 Catalog No: AG001O0G MDL No:
Product Description
Catalog Number:
AG001O0G
Chemical Name:
Benzeneacetonitrile, 2,6-dinitro-
CAS Number:
155593-11-6
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
IUPAC Name:
2-(2,6-dinitrophenyl)acetonitrile
InChI:
InChI=1S/C8H5N3O4/c9-5-4-6-7(10(12)13)2-1-3-8(6)11(14)15/h1-3H,4H2
InChI Key:
RRPGEIPZSVWRSA-UHFFFAOYSA-N
SMILES:
N#CCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.