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1895195-83-1 | 1-phenyl-1H-1,2,3-triazole-4-sulfonyl chloride
CAS No: 1895195-83-1 Catalog No: AG01BOA1 MDL No:MFCD30498871
Product Description
Catalog Number:
AG01BOA1
Chemical Name:
1-phenyl-1H-1,2,3-triazole-4-sulfonyl chloride
CAS Number:
1895195-83-1
Molecular Formula:
C8H6ClN3O2S
Molecular Weight:
243.6701
MDL Number:
MFCD30498871
IUPAC Name:
1-phenyltriazole-4-sulfonyl chloride
InChI:
InChI=1S/C8H6ClN3O2S/c9-15(13,14)8-6-12(11-10-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
NGNQIUAQGPWARV-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1nnn(c1)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:
0
Isotope Atom Count:
0
Molecular Weight:
243.665g/mol
Monoisotopic Mass:
242.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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