200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 13985-45-0
13985-45-0 | 1,4-Benzenediol, 2,6-dinitro-
CAS No: 13985-45-0 Catalog No: AG001BQU MDL No:
Product Description
Catalog Number:
AG001BQU
Chemical Name:
1,4-Benzenediol, 2,6-dinitro-
CAS Number:
13985-45-0
Molecular Formula:
C6H4N2O6
Molecular Weight:
200.1058
IUPAC Name:
2,6-dinitrobenzene-1,4-diol
InChI:
InChI=1S/C6H4N2O6/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2,9-10H
InChI Key:
LXYNWFIRAZCOKN-UHFFFAOYSA-N
SMILES:
Oc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.106g/mol
Monoisotopic Mass:
200.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.