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158583-91-6 | 3-Quinolinecarbonitrile, 2,7-dichloro-
CAS No: 158583-91-6 Catalog No: AG001QAR MDL No:MFCD09787675
Product Description
Catalog Number:
AG001QAR
Chemical Name:
3-Quinolinecarbonitrile, 2,7-dichloro-
CAS Number:
158583-91-6
Molecular Formula:
C10H4Cl2N2
Molecular Weight:
223.0582
MDL Number:
MFCD09787675
IUPAC Name:
2,7-dichloroquinoline-3-carbonitrile
InChI:
InChI=1S/C10H4Cl2N2/c11-8-2-1-6-3-7(5-13)10(12)14-9(6)4-8/h1-4H
InChI Key:
OMAGPCPEZKPTDF-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccc(cc2nc1Cl)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.975g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.056g/mol
Monoisotopic Mass:
221.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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