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Home > Boronic Acids > 1257649-56-1
1257649-56-1 | 4-Iodophenylboronic acid MIDA ester
CAS No: 1257649-56-1 Catalog No: AG003LKX MDL No:MFCD11215234
Product Description
Catalog Number:
AG003LKX
Chemical Name:
4-Iodophenylboronic acid MIDA ester
CAS Number:
1257649-56-1
Molecular Formula:
C11H11BINO4
Molecular Weight:
358.9248
MDL Number:
MFCD11215234
IUPAC Name:
2-(4-iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C11H11BINO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
InChI Key:
KIKNJEGAWBNFLW-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1ccc(cc1)I
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.983g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.926g/mol
Monoisotopic Mass:
358.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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