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123768-36-5 | Benzothiazole, 2-butyl-2-(1-ethylpentyl)-2,3-dihydro-3-methyl- (9CI)
CAS No: 123768-36-5 Catalog No: AG009H8M MDL No:
Product Description
Catalog Number:
AG009H8M
Chemical Name:
Benzothiazole, 2-butyl-2-(1-ethylpentyl)-2,3-dihydro-3-methyl- (9CI)
CAS Number:
123768-36-5
IUPAC Name:
2-butyl-2-heptan-3-yl-3-methyl-1,3-benzothiazole
InChI:
InChI=1S/C19H31NS/c1-5-8-12-16(7-3)19(15-9-6-2)20(4)17-13-10-11-14-18(17)21-19/h10-11,13-14,16H,5-9,12,15H2,1-4H3
InChI Key:
UXHOUQUONLJVSN-UHFFFAOYSA-N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.218g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.524g/mol
Monoisotopic Mass:
305.218g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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