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92795-36-3 | Benzoxazole, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-
CAS No: 92795-36-3 Catalog No: AG006DXJ MDL No:
Product Description
Catalog Number:
AG006DXJ
Chemical Name:
Benzoxazole, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-
CAS Number:
92795-36-3
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
IUPAC Name:
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzoxazole
InChI:
InChI=1S/C16H11NO3/c1-2-4-13-12(3-1)17-16(20-13)8-6-11-5-7-14-15(9-11)19-10-18-14/h1-9H,10H2
InChI Key:
DPSXZXQPFAYPNZ-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)cc(cc2)C=Cc1nc2c(o1)cccc2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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