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84696-65-1 | Benzothiazole,2-[3,5-bis(1,1-dimethylethyl)phenoxy]-
CAS No: 84696-65-1 Catalog No: AG004SNV MDL No:
Product Description
Catalog Number:
AG004SNV
Chemical Name:
Benzothiazole,2-[3,5-bis(1,1-dimethylethyl)phenoxy]-
CAS Number:
84696-65-1
Molecular Formula:
C21H25NOS
Molecular Weight:
339.4943
IUPAC Name:
2-(3,5-ditert-butylphenoxy)-1,3-benzothiazole
InChI:
InChI=1S/C21H25NOS/c1-20(2,3)14-11-15(21(4,5)6)13-16(12-14)23-19-22-17-9-7-8-10-18(17)24-19/h7-13H,1-6H3
InChI Key:
XRHBADLBPMKESE-UHFFFAOYSA-N
SMILES:
CC(c1cc(Oc2nc3c(s2)cccc3)cc(c1)C(C)(C)C)(C)C
EC Number:
283-670-9
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.166g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.497g/mol
Monoisotopic Mass:
339.166g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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