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322761-90-0 | Benzothiazole, 2-(1-methylbutoxy)- (9CI)
CAS No: 322761-90-0 Catalog No: AG00CPF0 MDL No:
Product Description
Catalog Number:
AG00CPF0
Chemical Name:
Benzothiazole, 2-(1-methylbutoxy)- (9CI)
CAS Number:
322761-90-0
IUPAC Name:
2-pentan-2-yloxy-1,3-benzothiazole
InChI:
InChI=1S/C12H15NOS/c1-3-6-9(2)14-12-13-10-7-4-5-8-11(10)15-12/h4-5,7-9H,3,6H2,1-2H3
InChI Key:
XMIAAPBFEALTIX-UHFFFAOYSA-N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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