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1291486-08-2

1291486-08-2 | (pyridin-2-ylthio)acetyl chloride

CAS No: 1291486-08-2 Catalog No: AG00J7AS MDL No:MFCD20526178

Product Description

Catalog Number:
AG00J7AS
Chemical Name:
(pyridin-2-ylthio)acetyl chloride
CAS Number:
1291486-08-2
Molecular Formula:
C7H6ClNOS
Molecular Weight:
187.6466
MDL Number:
MFCD20526178
IUPAC Name:
2-pyridin-2-ylsulfanylacetyl chloride
InChI:
InChI=1S/C7H6ClNOS/c8-6(10)5-11-7-3-1-2-4-9-7/h1-4H,5H2
InChI Key:
DQJDCUKNZBVIES-UHFFFAOYSA-N
SMILES:
ClC(=O)CSc1ccccn1

Properties

Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.986g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.641g/mol
Monoisotopic Mass:
186.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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