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939804-09-8 | 6-tert-Butylbenzothiazole
CAS No: 939804-09-8 Catalog No: AG00GXVK MDL No:
Product Description
Catalog Number:
AG00GXVK
Chemical Name:
6-tert-Butylbenzothiazole
CAS Number:
939804-09-8
IUPAC Name:
6-tert-butyl-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-7H,1-3H3
InChI Key:
SMZWFDRXFKJJDV-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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