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153898-63-6 | 2-Iodo-5-methoxyaniline
CAS No: 153898-63-6 Catalog No: AG007XVA MDL No:MFCD08458361
Product Description
Catalog Number:
AG007XVA
Chemical Name:
2-Iodo-5-methoxyaniline
CAS Number:
153898-63-6
Molecular Formula:
C7H8INO
Molecular Weight:
249.0490
MDL Number:
MFCD08458361
IUPAC Name:
2-iodo-5-methoxyaniline
InChI:
InChI=1S/C7H8INO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChI Key:
CYDBBGSUZRDOPE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)N)I
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.051g/mol
Monoisotopic Mass:
248.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Convergent synthesis of the quinolone substructure of BILN 2061 via carbonylative Sonogashira coupling/cyclization. | The Journal of organic chemistry 20060623 |
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