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Home > Boronic Acids > 862248-93-9
862248-93-9 | (3,4,5-Trichlorophenyl)boronic acid
CAS No: 862248-93-9 Catalog No: AG003BQA MDL No:MFCD03095126
Product Description
Catalog Number:
AG003BQA
Chemical Name:
(3,4,5-Trichlorophenyl)boronic acid
CAS Number:
862248-93-9
Molecular Formula:
C6H4BCl3O2
Molecular Weight:
225.2648
MDL Number:
MFCD03095126
IUPAC Name:
(3,4,5-trichlorophenyl)boronic acid
InChI:
InChI=1S/C6H4BCl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
InChI Key:
KTEXVCMJBYWOSG-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(c(c1)Cl)Cl)O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.937g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.256g/mol
Monoisotopic Mass:
223.937g/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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