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83782-32-5 | Pyridine, 2-[[(3,4-dichlorophenyl)thio]methyl]-
CAS No: 83782-32-5 Catalog No: AG0055QA MDL No:
Product Description
Catalog Number:
AG0055QA
Chemical Name:
Pyridine, 2-[[(3,4-dichlorophenyl)thio]methyl]-
CAS Number:
83782-32-5
Molecular Formula:
C12H9Cl2NS
Molecular Weight:
270.1776
IUPAC Name:
2-[(3,4-dichlorophenyl)sulfanylmethyl]pyridine
InChI:
InChI=1S/C12H9Cl2NS/c13-11-5-4-10(7-12(11)14)16-8-9-3-1-2-6-15-9/h1-7H,8H2
InChI Key:
BGPXJBQOQLFBKY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)SCc1ccccn1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.983g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.171g/mol
Monoisotopic Mass:
268.983g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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