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830321-09-0 | Benzoxazole, 2-[(1E)-1-octenylthio]-
CAS No: 830321-09-0 Catalog No: AG0053HF MDL No:
Product Description
Catalog Number:
AG0053HF
Chemical Name:
Benzoxazole, 2-[(1E)-1-octenylthio]-
CAS Number:
830321-09-0
Molecular Formula:
C15H19NOS
Molecular Weight:
261.3825
IUPAC Name:
2-oct-1-enylsulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C15H19NOS/c1-2-3-4-5-6-9-12-18-15-16-13-10-7-8-11-14(13)17-15/h7-12H,2-6H2,1H3
InChI Key:
OTWYSPQHQDCYCD-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/Sc1nc2c(o1)cccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.383g/mol
Monoisotopic Mass:
261.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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