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3956-07-8 | 4-Iodobenzamide
CAS No: 3956-07-8 Catalog No: AG003LKL MDL No:MFCD00143332
Product Description
Catalog Number:
AG003LKL
Chemical Name:
4-Iodobenzamide
CAS Number:
3956-07-8
Molecular Formula:
C7H6INO
Molecular Weight:
247.0331
MDL Number:
MFCD00143332
IUPAC Name:
4-iodobenzamide
InChI:
InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key:
XRNBLQCAFWFFPM-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)I
UNII:
E96ZLM2247
NSC Number:
136972
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.949g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.035g/mol
Monoisotopic Mass:
246.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Determination of metabolic stability of positron emission tomography tracers by LC-MS/MS: an example in WAY-100635 and two analogues. | Journal of pharmaceutical and biomedical analysis 20060303 |
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