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139485-42-0 | 2-Pyridinecarbonitrile, 3,4,5-trichloro-
CAS No: 139485-42-0 Catalog No: AG001B46 MDL No:MFCD00160333
Product Description
Catalog Number:
AG001B46
Chemical Name:
2-Pyridinecarbonitrile, 3,4,5-trichloro-
CAS Number:
139485-42-0
Molecular Formula:
C6HCl3N2
Molecular Weight:
207.4445
MDL Number:
MFCD00160333
IUPAC Name:
3,4,5-trichloropyridine-2-carbonitrile
InChI:
InChI=1S/C6HCl3N2/c7-3-2-11-4(1-10)6(9)5(3)8/h2H
InChI Key:
UBUTVAIAQCVVBX-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(c(c1Cl)Cl)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.921g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.438g/mol
Monoisotopic Mass:
205.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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