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84156-17-2 | 5(4H)-Oxazolone, 2-(2-bromophenyl)-4-[(4-methylphenyl)methylene]-
CAS No: 84156-17-2 Catalog No: AG004ZIJ MDL No:
Product Description
Catalog Number:
AG004ZIJ
Chemical Name:
5(4H)-Oxazolone, 2-(2-bromophenyl)-4-[(4-methylphenyl)methylene]-
CAS Number:
84156-17-2
Molecular Formula:
C17H12BrNO2
Molecular Weight:
342.1867
IUPAC Name:
2-(2-bromophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
InChI:
InChI=1S/C17H12BrNO2/c1-11-6-8-12(9-7-11)10-15-17(20)21-16(19-15)13-4-2-3-5-14(13)18/h2-10H,1H3
InChI Key:
BRFNNFOBPOZNQN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=C1N=C(OC1=O)c1ccccc1Br
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.192g/mol
Monoisotopic Mass:
341.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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