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13183-09-0 | 1,2,3-Oxadiazolium, 4-bromo-5-hydroxy-3-phenyl-, inner salt
CAS No: 13183-09-0 Catalog No: AG000ZT5 MDL No:
Product Description
Catalog Number:
AG000ZT5
Chemical Name:
1,2,3-Oxadiazolium, 4-bromo-5-hydroxy-3-phenyl-, inner salt
CAS Number:
13183-09-0
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
IUPAC Name:
4-bromo-3-phenyloxadiazol-3-ium-5-olate
InChI:
InChI=1S/C8H5BrN2O2/c9-7-8(12)13-10-11(7)6-4-2-1-3-5-6/h1-5H
InChI Key:
KIZKTBQGLPVCRL-UHFFFAOYSA-N
SMILES:
Brc1c(=O)o[n-][n+]1c1ccccc1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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