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95856-76-1 | Benzothiazole, 2-[4-(4-morpholinyl)phenyl]-
CAS No: 95856-76-1 Catalog No: AG005WYK MDL No:
Product Description
Catalog Number:
AG005WYK
Chemical Name:
Benzothiazole, 2-[4-(4-morpholinyl)phenyl]-
CAS Number:
95856-76-1
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
IUPAC Name:
4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
InChI:
InChI=1S/C17H16N2OS/c1-2-4-16-15(3-1)18-17(21-16)13-5-7-14(8-6-13)19-9-11-20-12-10-19/h1-8H,9-12H2
InChI Key:
UNGGLDZQUWFXEF-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)c1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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