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116453-92-0 | 1,2-Benzenedicarbonitrile, 3,6-dibutoxy-4,5-dichloro-
CAS No: 116453-92-0 Catalog No: AG000CJ0 MDL No:
Product Description
Catalog Number:
AG000CJ0
Chemical Name:
1,2-Benzenedicarbonitrile, 3,6-dibutoxy-4,5-dichloro-
CAS Number:
116453-92-0
Molecular Formula:
C16H18Cl2N2O2
Molecular Weight:
341.2323
IUPAC Name:
3,6-dibutoxy-4,5-dichlorobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C16H18Cl2N2O2/c1-3-5-7-21-15-11(9-19)12(10-20)16(14(18)13(15)17)22-8-6-4-2/h3-8H2,1-2H3
InChI Key:
QGIRKGNUERDNTB-UHFFFAOYSA-N
SMILES:
CCCCOc1c(Cl)c(Cl)c(c(c1C#N)C#N)OCCCC
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.232g/mol
Monoisotopic Mass:
340.075g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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