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201282-63-5 | 1,2,3-OxadiazoliuM, 5-hydroxy-4-iodo-3-(4-Methoxyphenyl)-, inner salt
CAS No: 201282-63-5 Catalog No: AG00BI1O MDL No:MFCD25948963
Product Description
Catalog Number:
AG00BI1O
Chemical Name:
1,2,3-OxadiazoliuM, 5-hydroxy-4-iodo-3-(4-Methoxyphenyl)-, inner salt
CAS Number:
201282-63-5
Molecular Formula:
C9H10IN2O3
Molecular Weight:
321.0918
MDL Number:
MFCD25948963
IUPAC Name:
4-iodo-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
InChI:
InChI=1S/C9H7IN2O3/c1-14-7-4-2-6(3-5-7)12-8(10)9(13)15-11-12/h2-5H,1H3
InChI Key:
RJWUVFKPJIVNHN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1N[O+]C(C1I)[O-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.07g/mol
Monoisotopic Mass:
317.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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