200,000+ products from a single source!
sales@angenechem.com
139459-69-1 | 1H-1,2,4-Triazole, 3,5-dichloro-1-(4-nitrophenyl)-
CAS No: 139459-69-1 Catalog No: AG001B2M MDL No:
Product Description
Catalog Number:
AG001B2M
Chemical Name:
1H-1,2,4-Triazole, 3,5-dichloro-1-(4-nitrophenyl)-
CAS Number:
139459-69-1
Molecular Formula:
C8H4Cl2N4O2
Molecular Weight:
259.0490
IUPAC Name:
3,5-dichloro-1-(4-nitrophenyl)-1,2,4-triazole
InChI:
InChI=1S/C8H4Cl2N4O2/c9-7-11-8(10)13(12-7)5-1-3-6(4-2-5)14(15)16/h1-4H
InChI Key:
SKNSHIRCJXXSEI-UHFFFAOYSA-N
SMILES:
Clc1nn(c(n1)Cl)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.046g/mol
Monoisotopic Mass:
257.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.