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2059945-02-5 | 1-(3-iodophenyl)-1H-1,2,3-triazole-4-sulfonyl chloride
CAS No: 2059945-02-5 Catalog No: AG01BOA5 MDL No:MFCD30498875
Product Description
Catalog Number:
AG01BOA5
Chemical Name:
1-(3-iodophenyl)-1H-1,2,3-triazole-4-sulfonyl chloride
CAS Number:
2059945-02-5
Molecular Formula:
C8H5ClIN3O2S
Molecular Weight:
369.5667
MDL Number:
MFCD30498875
IUPAC Name:
1-(3-iodophenyl)triazole-4-sulfonyl chloride
InChI:
InChI=1S/C8H5ClIN3O2S/c9-16(14,15)8-5-13(12-11-8)7-3-1-2-6(10)4-7/h1-5H
InChI Key:
ARILOYMYRCWGGK-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)n1nnc(c1)S(=O)(=O)Cl
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.884g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.561g/mol
Monoisotopic Mass:
368.884g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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