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40105-27-9 | Benzothiazole, 2-(1,3,5-trioxan-2-yl)- (9CI)
CAS No: 40105-27-9 Catalog No: AG00D67V MDL No:
Product Description
Catalog Number:
AG00D67V
Chemical Name:
Benzothiazole, 2-(1,3,5-trioxan-2-yl)- (9CI)
CAS Number:
40105-27-9
IUPAC Name:
2-(1,3,5-trioxan-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C10H9NO3S/c1-2-4-8-7(3-1)11-9(15-8)10-13-5-12-6-14-10/h1-4,10H,5-6H2
InChI Key:
MVSJPRJPZSPPTN-UHFFFAOYSA-N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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