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1092114-27-6

1092114-27-6 | 5-(2-Iodophenyl)-1,3,4-oxadiazol-2(3H)-one

CAS No: 1092114-27-6 Catalog No: AG00HBAX MDL No:MFCD19673331

Product Description

Catalog Number:
AG00HBAX
Chemical Name:
5-(2-Iodophenyl)-1,3,4-oxadiazol-2(3H)-one
CAS Number:
1092114-27-6
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
MDL Number:
MFCD19673331
IUPAC Name:
5-(2-iodophenyl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C8H5IN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChI Key:
LGXIRBYXOKRIKG-UHFFFAOYSA-N
SMILES:
Ic1ccccc1c1n[nH]c(=O)o1

Properties

Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/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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