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89046-92-4 | 4H-1,3-Oxazin-4-one, 2-[(2-chlorophenyl)amino]-6-phenyl-
CAS No: 89046-92-4 Catalog No: AG004323 MDL No:
Product Description
Catalog Number:
AG004323
Chemical Name:
4H-1,3-Oxazin-4-one, 2-[(2-chlorophenyl)amino]-6-phenyl-
CAS Number:
89046-92-4
Molecular Formula:
C16H11ClN2O2
Molecular Weight:
298.7237
IUPAC Name:
2-(2-chloroanilino)-6-phenyl-1,3-oxazin-4-one
InChI:
InChI=1S/C16H11ClN2O2/c17-12-8-4-5-9-13(12)18-16-19-15(20)10-14(21-16)11-6-2-1-3-7-11/h1-10H,(H,18,19,20)
InChI Key:
VIVGJTGERLWKEN-UHFFFAOYSA-N
SMILES:
O=c1nc(oc(c1)c1ccccc1)Nc1ccccc1Cl
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.726g/mol
Monoisotopic Mass:
298.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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