Home Halogens 2-(4-bromophenyl)-5,6-dihydro-4H-1,3,4-oxadiazin-5-one

2-(4-bromophenyl)-5,6-dihydro-4H-1,3,4-oxadiazin-5-one

CAS No.:
2126176-84-7
Catalog Number:
AG01E7BH
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
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Product Description
Catalog Number:
AG01E7BH
Chemical Name:
2-(4-bromophenyl)-5,6-dihydro-4H-1,3,4-oxadiazin-5-one
CAS Number:
2126176-84-7
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD31381376
IUPAC Name:
2-(4-bromophenyl)-4H-1,3,4-oxadiazin-5-one
InChI:
InChI=1S/C9H7BrN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(13)5-14-9/h1-4H,5H2,(H,11,13)
InChI Key:
MWVSLQNUWMNTDX-UHFFFAOYSA-N
SMILES:
O=C1COC(=NN1)c1ccc(cc1)Br
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties