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143795-80-6 | Benzothiazole, 2-[2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)ethyl]-
CAS No: 143795-80-6 Catalog No: AG001IDA MDL No:
Product Description
Catalog Number:
AG001IDA
Chemical Name:
Benzothiazole, 2-[2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)ethyl]-
CAS Number:
143795-80-6
Molecular Formula:
C17H13ClN4S
Molecular Weight:
340.8299
IUPAC Name:
2-[2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethyl]-1,3-benzothiazole
InChI:
InChI=1S/C17H13ClN4S/c18-13-7-5-12(6-8-13)9-15(22-11-19-10-20-22)17-21-14-3-1-2-4-16(14)23-17/h1-8,10-11,15H,9H2
InChI Key:
SLOPCJLJOKRVAG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CC(n1cncn1)c1nc2c(s1)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.055g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.829g/mol
Monoisotopic Mass:
340.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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