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Home > Boronic Acids > 1150114-65-0
1150114-65-0 | Boronic acid, B,B'-(4,6-dichloro-1,3-phenylene)bis-
CAS No: 1150114-65-0 Catalog No: AG000FMC MDL No:MFCD12025976
Product Description
Catalog Number:
AG000FMC
Chemical Name:
Boronic acid, B,B'-(4,6-dichloro-1,3-phenylene)bis-
CAS Number:
1150114-65-0
Molecular Formula:
C6H6B2Cl2O4
Molecular Weight:
234.6374
MDL Number:
MFCD12025976
IUPAC Name:
(5-borono-2,4-dichlorophenyl)boronic acid
InChI:
InChI=1S/C6H6B2Cl2O4/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,11-14H
InChI Key:
YCEOXNHPRQXRBD-UHFFFAOYSA-N
SMILES:
OB(c1cc(B(O)O)c(cc1Cl)Cl)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.983g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
234.63g/mol
Monoisotopic Mass:
233.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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