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1381947-50-7 | 1H-1,2,4-Triazole-5-sulfonyl chloride, 3-phenyl-
CAS No: 1381947-50-7 Catalog No: AG001889 MDL No:
Product Description
Catalog Number:
AG001889
Chemical Name:
1H-1,2,4-Triazole-5-sulfonyl chloride, 3-phenyl-
CAS Number:
1381947-50-7
Molecular Formula:
C8H6ClN3O2S
Molecular Weight:
243.6701
IUPAC Name:
3-phenyl-1H-1,2,4-triazole-5-sulfonyl chloride
InChI:
InChI=1S/C8H6ClN3O2S/c9-15(13,14)8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11,12)
InChI Key:
OMOKWPFLGIHCAI-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1[nH]nc(n1)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.987g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.665g/mol
Monoisotopic Mass:
242.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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