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1897-43-4 | 1,4-Benzenedicarbonitrile, 2,5-dichloro-
CAS No: 1897-43-4 Catalog No: AG002DXB MDL No:MFCD00059584
Product Description
Catalog Number:
AG002DXB
Chemical Name:
1,4-Benzenedicarbonitrile, 2,5-dichloro-
CAS Number:
1897-43-4
Molecular Formula:
C8H2Cl2N2
Molecular Weight:
197.0209
MDL Number:
MFCD00059584
IUPAC Name:
2,5-dichlorobenzene-1,4-dicarbonitrile
InChI:
InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2H
InChI Key:
UCRQGBRIGDKUAM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(cc1Cl)C#N
Properties
Complexity:
231
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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