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Home > Boronic Acids > 851756-53-1
851756-53-1 | (2,3,6-trichlorophenyl)boronic acid
CAS No: 851756-53-1 Catalog No: AG01B3X1 MDL No:MFCD18400154
Product Description
Catalog Number:
AG01B3X1
Chemical Name:
(2,3,6-trichlorophenyl)boronic acid
CAS Number:
851756-53-1
Molecular Formula:
C6H4BCl3O2
Molecular Weight:
225.2648
MDL Number:
MFCD18400154
IUPAC Name:
(2,3,6-trichlorophenyl)boronic acid
InChI:
InChI=1S/C6H4BCl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H
InChI Key:
AOPIKELJCFCNCK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1Cl)B(O)O)Cl
Properties
Complexity:
158
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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