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Home > Boronic Acids > 89694-50-8
89694-50-8 | (2-Iodo-5-methoxyphenyl)boronic acid
CAS No: 89694-50-8 Catalog No: AG00GXFC MDL No:MFCD26793796
Product Description
Catalog Number:
AG00GXFC
Chemical Name:
(2-Iodo-5-methoxyphenyl)boronic acid
CAS Number:
89694-50-8
Molecular Formula:
C7H8BIO3
Molecular Weight:
277.8521
MDL Number:
MFCD26793796
IUPAC Name:
(2-iodo-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H8BIO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChI Key:
XQYAEIDOJUNIGY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)B(O)O)I
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.961g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.852g/mol
Monoisotopic Mass:
277.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Direct amidation of carboxylic acids catalyzed by ortho-iodo arylboronic acids: catalyst optimization, scope, and preliminary mechanistic study supporting a peculiar halogen acceleration effect. | The Journal of organic chemistry 20121005 |
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