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104169-13-3 | Benzothiazole, 2,3-dihydro-3-methyl-2,2-dipentyl- (9CI)
CAS No: 104169-13-3 Catalog No: AG009KF1 MDL No:
Product Description
Catalog Number:
AG009KF1
Chemical Name:
Benzothiazole, 2,3-dihydro-3-methyl-2,2-dipentyl- (9CI)
CAS Number:
104169-13-3
IUPAC Name:
3-methyl-2,2-dipentyl-1,3-benzothiazole
InChI:
InChI=1S/C18H29NS/c1-4-6-10-14-18(15-11-7-5-2)19(3)16-12-8-9-13-17(16)20-18/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3
InChI Key:
FXZXEHKLWGOIDB-UHFFFAOYSA-N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.202g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.497g/mol
Monoisotopic Mass:
291.202g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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