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820961-83-9 | Benzoxazole, 2-[(3-phenylpropyl)thio]-
CAS No: 820961-83-9 Catalog No: AG008K35 MDL No:
Product Description
Catalog Number:
AG008K35
Chemical Name:
Benzoxazole, 2-[(3-phenylpropyl)thio]-
CAS Number:
820961-83-9
Molecular Formula:
C16H15NOS
Molecular Weight:
269.3614
IUPAC Name:
2-(3-phenylpropylsulfanyl)-1,3-benzoxazole
InChI:
InChI=1S/C16H15NOS/c1-2-7-13(8-3-1)9-6-12-19-16-17-14-10-4-5-11-15(14)18-16/h1-5,7-8,10-11H,6,9,12H2
InChI Key:
UYWBNPWMLYQSKH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCCSc1nc2c(o1)cccc2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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