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941030-87-1 | (1-Benzothiazol-2-yl-piperidin-3-yl)-Methanol, 98+% C13H16N2OS, MW
CAS No: 941030-87-1 Catalog No: AG00H1G1 MDL No:MFCD09387532
Product Description
Catalog Number:
AG00H1G1
Chemical Name:
(1-Benzothiazol-2-yl-piperidin-3-yl)-Methanol, 98+% C13H16N2OS, MW
CAS Number:
941030-87-1
MDL Number:
MFCD09387532
IUPAC Name:
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
InChI:
InChI=1S/C13H16N2OS/c16-9-10-4-3-7-15(8-10)13-14-11-5-1-2-6-12(11)17-13/h1-2,5-6,10,16H,3-4,7-9H2
InChI Key:
VCSQMSVLVVGIPJ-UHFFFAOYSA-N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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