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87428-49-7 | 2H-1,3,4-Oxadiazin-2-one, 5-(4-chlorophenyl)-3,6-dihydro-
CAS No: 87428-49-7 Catalog No: AG004J0G MDL No:
Product Description
Catalog Number:
AG004J0G
Chemical Name:
2H-1,3,4-Oxadiazin-2-one, 5-(4-chlorophenyl)-3,6-dihydro-
CAS Number:
87428-49-7
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
5-(4-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
InChI:
InChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)8-5-14-9(13)12-11-8/h1-4H,5H2,(H,12,13)
InChI Key:
NWSIUCXSJDSLOB-UHFFFAOYSA-N
SMILES:
O=C1OCC(=NN1)c1ccc(cc1)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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