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55000-40-3 | 2-Butyl-6-phenylbenzothiazole
CAS No: 55000-40-3 Catalog No: AG00DS7V MDL No:
Product Description
Catalog Number:
AG00DS7V
Chemical Name:
2-Butyl-6-phenylbenzothiazole
CAS Number:
55000-40-3
IUPAC Name:
2-butyl-6-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C17H17NS/c1-2-3-9-17-18-15-11-10-14(12-16(15)19-17)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3
InChI Key:
KWYBNADSAZOIIK-UHFFFAOYSA-N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.39g/mol
Monoisotopic Mass:
267.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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