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Home > Boronic Acids > 1072951-59-7
1072951-59-7 | (3,5-Diiodo-2-methoxyphenyl)boronic acid
CAS No: 1072951-59-7 Catalog No: AG003INI MDL No:MFCD08457647
Product Description
Catalog Number:
AG003INI
Chemical Name:
(3,5-Diiodo-2-methoxyphenyl)boronic acid
CAS Number:
1072951-59-7
Molecular Formula:
C7H7BI2O3
Molecular Weight:
403.7486
MDL Number:
MFCD08457647
IUPAC Name:
(3,5-diiodo-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BI2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,11-12H,1H3
InChI Key:
GLXUCKYNVDXHBW-UHFFFAOYSA-N
SMILES:
COc1c(I)cc(cc1B(O)O)I
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.858g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.749g/mol
Monoisotopic Mass:
403.858g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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