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19861-59-7 | 1,3-Benzenedicarbonitrile, 2,4,6-trichloro-
CAS No: 19861-59-7 Catalog No: AG002BN9 MDL No:
Product Description
Catalog Number:
AG002BN9
Chemical Name:
1,3-Benzenedicarbonitrile, 2,4,6-trichloro-
CAS Number:
19861-59-7
Molecular Formula:
C8HCl3N2
Molecular Weight:
231.4659
IUPAC Name:
2,4,6-trichlorobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8HCl3N2/c9-6-1-7(10)5(3-13)8(11)4(6)2-12/h1H
InChI Key:
YVSUWIHEYZXJGQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cc(c(c1Cl)C#N)Cl
UNII:
GU8T9B78AK
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.921g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.46g/mol
Monoisotopic Mass:
229.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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