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1496511-49-9 | 2H-1,2,3-Triazole-4-sulfonyl chloride, 2-methyl-
CAS No: 1496511-49-9 Catalog No: AG001LW4 MDL No:MFCD28546438
Product Description
Catalog Number:
AG001LW4
Chemical Name:
2H-1,2,3-Triazole-4-sulfonyl chloride, 2-methyl-
CAS Number:
1496511-49-9
Molecular Formula:
C3H4ClN3O2S
Molecular Weight:
181.6008
MDL Number:
MFCD28546438
IUPAC Name:
2-methyltriazole-4-sulfonyl chloride
InChI:
InChI=1S/C3H4ClN3O2S/c1-7-5-2-3(6-7)10(4,8)9/h2H,1H3
InChI Key:
UMBLUOCAGHLXNI-UHFFFAOYSA-N
SMILES:
Cn1ncc(n1)S(=O)(=O)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.971g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.594g/mol
Monoisotopic Mass:
180.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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