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2060045-12-5 | 1-(3-chlorophenyl)-1H-1,2,3-triazole-4-sulfonyl chloride
CAS No: 2060045-12-5 Catalog No: AG01BOA4 MDL No:MFCD30498874
Product Description
Catalog Number:
AG01BOA4
Chemical Name:
1-(3-chlorophenyl)-1H-1,2,3-triazole-4-sulfonyl chloride
CAS Number:
2060045-12-5
Molecular Formula:
C8H5Cl2N3O2S
Molecular Weight:
278.1152
MDL Number:
MFCD30498874
IUPAC Name:
1-(3-chlorophenyl)triazole-4-sulfonyl chloride
InChI:
InChI=1S/C8H5Cl2N3O2S/c9-6-2-1-3-7(4-6)13-5-8(11-12-13)16(10,14)15/h1-5H
InChI Key:
IPUDYKYVNLJLLC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1nnc(c1)S(=O)(=O)Cl
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.948g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.107g/mol
Monoisotopic Mass:
276.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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