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1247076-12-5

1247076-12-5 | 1-(4-methylpyridin-2-yl)-1H-pyrazole-4-sulfonyl chloride

CAS No: 1247076-12-5 Catalog No: AG01A1KU MDL No:MFCD16093570

Product Description

Catalog Number:
AG01A1KU
Chemical Name:
1-(4-methylpyridin-2-yl)-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1247076-12-5
Molecular Formula:
C9H8ClN3O2S
Molecular Weight:
257.6967
MDL Number:
MFCD16093570
IUPAC Name:
1-(4-methylpyridin-2-yl)pyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C9H8ClN3O2S/c1-7-2-3-11-9(4-7)13-6-8(5-12-13)16(10,14)15/h2-6H,1H3
InChI Key:
LJQDVCAGCMBBCW-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)n1ncc(c1)S(=O)(=O)Cl

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.003g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.692g/mol
Monoisotopic Mass:
257.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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