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1955515-45-3

1955515-45-3 | 5-acetyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonyl chloride

CAS No: 1955515-45-3 Catalog No: AG01B50Z MDL No:MFCD29991869

Product Description

Catalog Number:
AG01B50Z
Chemical Name:
5-acetyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonyl chloride
CAS Number:
1955515-45-3
Molecular Formula:
C9H10ClNO3S2
Molecular Weight:
279.7636
MDL Number:
MFCD29991869
IUPAC Name:
5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonyl chloride
InChI:
InChI=1S/C9H10ClNO3S2/c1-6(12)11-3-2-8-7(5-11)4-9(15-8)16(10,13)14/h4H,2-3,5H2,1H3
InChI Key:
WNRFERWQHZQFDT-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)cc(s2)S(=O)(=O)Cl

Properties

Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.979g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.753g/mol
Monoisotopic Mass:
278.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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