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1179324-90-3 | Benzothiazole, 6-chloro-2-phenoxy-
CAS No: 1179324-90-3 Catalog No: AG01FE27 MDL No:
Product Description
Catalog Number:
AG01FE27
Chemical Name:
Benzothiazole, 6-chloro-2-phenoxy-
CAS Number:
1179324-90-3
Molecular Formula:
C13H8ClNOS
Molecular Weight:
261.7267
IUPAC Name:
6-chloro-2-phenoxy-1,3-benzothiazole
InChI:
InChI=1S/C13H8ClNOS/c14-9-6-7-11-12(8-9)17-13(15-11)16-10-4-2-1-3-5-10/h1-8H
InChI Key:
UWSHJNMVLKXMHO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)sc(n2)Oc1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.723g/mol
Monoisotopic Mass:
261.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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