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101495-56-1 | 1,2,4-Thiadiazole, 3-chloro-5-phenyl-
CAS No: 101495-56-1 Catalog No: AG0004M0 MDL No:
Product Description
Catalog Number:
AG0004M0
Chemical Name:
1,2,4-Thiadiazole, 3-chloro-5-phenyl-
CAS Number:
101495-56-1
Molecular Formula:
C8H5ClN2S
Molecular Weight:
196.6567
IUPAC Name:
3-chloro-5-phenyl-1,2,4-thiadiazole
InChI:
InChI=1S/C8H5ClN2S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
ZGROIHXQCKYCPT-UHFFFAOYSA-N
SMILES:
Clc1nsc(n1)c1ccccc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.652g/mol
Monoisotopic Mass:
195.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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