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Home > Boronic Acids > 221037-98-5
221037-98-5 | Boronic acid, (3-iodophenyl)-
CAS No: 221037-98-5 Catalog No: AG00I4C6 MDL No:MFCD01319015
Product Description
Catalog Number:
AG00I4C6
Chemical Name:
Boronic acid, (3-iodophenyl)-
CAS Number:
221037-98-5
Molecular Formula:
C6H6BIO2
Molecular Weight:
247.8261
MDL Number:
MFCD01319015
IUPAC Name:
(3-iodophenyl)boronic acid
InChI:
InChI=1S/C6H6BIO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChI Key:
REEUXWXIMNEIIN-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)B(O)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.951g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.826g/mol
Monoisotopic Mass:
247.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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