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1897-44-5 | 1,3-Benzenedicarbonitrile, 4,6-dichloro-
CAS No: 1897-44-5 Catalog No: AG002DXA MDL No:
Product Description
Catalog Number:
AG002DXA
Chemical Name:
1,3-Benzenedicarbonitrile, 4,6-dichloro-
CAS Number:
1897-44-5
Molecular Formula:
C8H2Cl2N2
Molecular Weight:
197.0209
IUPAC Name:
4,6-dichlorobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H2Cl2N2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2H
InChI Key:
WMRVCOCGHLAIED-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)c(cc1Cl)Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.018g/mol
Monoisotopic Mass:
195.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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