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54798-95-7 | Benzothiazole, 2-butyl- (6CI,9CI)
CAS No: 54798-95-7 Catalog No: AG00DO7U MDL No:
Product Description
Catalog Number:
AG00DO7U
Chemical Name:
Benzothiazole, 2-butyl- (6CI,9CI)
CAS Number:
54798-95-7
IUPAC Name:
2-butyl-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3
InChI Key:
TUCSLJFYSQXGEV-UHFFFAOYSA-N
Properties
Complexity:
160
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:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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