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144397-32-0 | Benzoxazole, 2-(4-isocyanatophenyl)-6-methoxy-
CAS No: 144397-32-0 Catalog No: AG001JGE MDL No:
Product Description
Catalog Number:
AG001JGE
Chemical Name:
Benzoxazole, 2-(4-isocyanatophenyl)-6-methoxy-
CAS Number:
144397-32-0
Molecular Formula:
C15H10N2O3
Molecular Weight:
266.2515
IUPAC Name:
2-(4-isocyanatophenyl)-6-methoxy-1,3-benzoxazole
InChI:
InChI=1S/C15H10N2O3/c1-19-12-6-7-13-14(8-12)20-15(17-13)10-2-4-11(5-3-10)16-9-18/h2-8H,1H3
InChI Key:
AOQFXMGGJWCACK-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)c1nc2c(o1)cc(cc2)OC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.256g/mol
Monoisotopic Mass:
266.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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