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83068-09-1 | Ethanone, 2-(2,3-dihydro-2-benzothiazolyl)-1-phenyl-
CAS No: 83068-09-1 Catalog No: AG004X4O MDL No:
Product Description
Catalog Number:
AG004X4O
Chemical Name:
Ethanone, 2-(2,3-dihydro-2-benzothiazolyl)-1-phenyl-
CAS Number:
83068-09-1
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
2-(2,3-dihydro-1,3-benzothiazol-2-yl)-1-phenylethanone
InChI:
InChI=1S/C15H13NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9,15-16H,10H2
InChI Key:
GZYOMULIHVFQAX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1Nc2c(S1)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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