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28689-08-9 | Benzene, 1,5-dichloro-2,3-dinitro-
CAS No: 28689-08-9 Catalog No: AG002W38 MDL No:
Product Description
Catalog Number:
AG002W38
Chemical Name:
Benzene, 1,5-dichloro-2,3-dinitro-
CAS Number:
28689-08-9
Molecular Formula:
C6H2Cl2N2O4
Molecular Weight:
236.9971
IUPAC Name:
1,5-dichloro-2,3-dinitrobenzene
InChI:
InChI=1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)5(2-3)9(11)12/h1-2H
InChI Key:
OBRJNJHIDOWUTJ-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
249-157-9
UNII:
BV2SOC34W3
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.939g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.992g/mol
Monoisotopic Mass:
235.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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