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1218-69-5 | 4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-
CAS No: 1218-69-5 Catalog No: AG001622 MDL No:MFCD02234511
Product Description
Catalog Number:
AG001622
Chemical Name:
4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-
CAS Number:
1218-69-5
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
MDL Number:
MFCD02234511
IUPAC Name:
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
InChI:
InChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H
InChI Key:
NSWIROGSZPXREF-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nc(=O)c2c(o1)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 2,2'-[1-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-3,5-diyl]diphenol. | Acta crystallographica. Section E, Structure reports online 20080201 |
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