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481697-67-0 | Benzothiazole, 2-(3,3-dimethylbutyl)- (9CI)
CAS No: 481697-67-0 Catalog No: AG00DOAB MDL No:
Product Description
Catalog Number:
AG00DOAB
Chemical Name:
Benzothiazole, 2-(3,3-dimethylbutyl)- (9CI)
CAS Number:
481697-67-0
IUPAC Name:
2-(3,3-dimethylbutyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H17NS/c1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12/h4-7H,8-9H2,1-3H3
InChI Key:
YTCXMUUSVVJEPU-UHFFFAOYSA-N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.346g/mol
Monoisotopic Mass:
219.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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