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89249-56-9 | 1,2,4-Oxadiazol-5(2H)-one, 3-[(2,6-dichlorophenyl)phenylmethyl]-
CAS No: 89249-56-9 Catalog No: AG0043RW MDL No:
Product Description
Catalog Number:
AG0043RW
Chemical Name:
1,2,4-Oxadiazol-5(2H)-one, 3-[(2,6-dichlorophenyl)phenylmethyl]-
CAS Number:
89249-56-9
Molecular Formula:
C15H10Cl2N2O2
Molecular Weight:
321.1581
IUPAC Name:
3-[(2,6-dichlorophenyl)-phenylmethyl]-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C15H10Cl2N2O2/c16-10-7-4-8-11(17)13(10)12(9-5-2-1-3-6-9)14-18-15(20)21-19-14/h1-8,12H,(H,18,19,20)
InChI Key:
OFASVTQTILQRFG-UHFFFAOYSA-N
SMILES:
O=c1o[nH]c(n1)C(c1c(Cl)cccc1Cl)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.012g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.157g/mol
Monoisotopic Mass:
320.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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