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87427-89-2 | 4H-1,3,4-Oxadiazin-5(6H)-one, 2-(3-chlorophenyl)-
CAS No: 87427-89-2 Catalog No: AG004G6I MDL No:
Product Description
Catalog Number:
AG004G6I
Chemical Name:
4H-1,3,4-Oxadiazin-5(6H)-one, 2-(3-chlorophenyl)-
CAS Number:
87427-89-2
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
2-(3-chlorophenyl)-4H-1,3,4-oxadiazin-5-one
InChI:
InChI=1S/C9H7ClN2O2/c10-7-3-1-2-6(4-7)9-12-11-8(13)5-14-9/h1-4H,5H2,(H,11,13)
InChI Key:
ARILPODPUVSEJG-UHFFFAOYSA-N
SMILES:
O=C1COC(=NN1)c1cccc(c1)Cl
Properties
Complexity:
268
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:
1.8
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