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2059976-10-0 | 1-(4-methylphenyl)-1H-1,2,3-triazole-4-sulfonyl chloride
CAS No: 2059976-10-0 Catalog No: AG01BOA2 MDL No:MFCD30498872
Product Description
Catalog Number:
AG01BOA2
Chemical Name:
1-(4-methylphenyl)-1H-1,2,3-triazole-4-sulfonyl chloride
CAS Number:
2059976-10-0
Molecular Formula:
C9H8ClN3O2S
Molecular Weight:
257.6967
MDL Number:
MFCD30498872
IUPAC Name:
1-(4-methylphenyl)triazole-4-sulfonyl chloride
InChI:
InChI=1S/C9H8ClN3O2S/c1-7-2-4-8(5-3-7)13-6-9(11-12-13)16(10,14)15/h2-6H,1H3
InChI Key:
GWPDYXAMWWQMOI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nnc(c1)S(=O)(=O)Cl
Properties
Complexity:
335
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:
2.1
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