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Home > Pyridines > 113969-86-1
113969-86-1 | 4-Pyridinecarbonyl chloride, 2-(propylthio)-
CAS No: 113969-86-1 Catalog No: AG000A6Z MDL No:
Product Description
Catalog Number:
AG000A6Z
Chemical Name:
4-Pyridinecarbonyl chloride, 2-(propylthio)-
CAS Number:
113969-86-1
Molecular Formula:
C9H10ClNOS
Molecular Weight:
215.6998
IUPAC Name:
2-propylsulfanylpyridine-4-carbonyl chloride
InChI:
InChI=1S/C9H10ClNOS/c1-2-5-13-8-6-7(9(10)12)3-4-11-8/h3-4,6H,2,5H2,1H3
InChI Key:
RBWRSEFWIFEUEK-UHFFFAOYSA-N
SMILES:
CCCSc1cc(ccn1)C(=O)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.695g/mol
Monoisotopic Mass:
215.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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