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648422-69-9 | Benzoxazole, 2-[4-(2-propynyloxy)phenyl]-
CAS No: 648422-69-9 Catalog No: AG006TOF MDL No:
Product Description
Catalog Number:
AG006TOF
Chemical Name:
Benzoxazole, 2-[4-(2-propynyloxy)phenyl]-
CAS Number:
648422-69-9
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
2-(4-prop-2-ynoxyphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C16H11NO2/c1-2-11-18-13-9-7-12(8-10-13)16-17-14-5-3-4-6-15(14)19-16/h1,3-10H,11H2
InChI Key:
JBPKBCOEYWKMFR-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1)c1nc2c(o1)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:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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