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Home > Boronic Acids > 68716-47-2
68716-47-2 | 2,4-Dichlorophenylboronic acid
CAS No: 68716-47-2 Catalog No: AG0032Z8 MDL No:MFCD00013930
Product Description
Catalog Number:
AG0032Z8
Chemical Name:
2,4-Dichlorophenylboronic acid
CAS Number:
68716-47-2
Molecular Formula:
C6H5BCl2O2
Molecular Weight:
190.8197
MDL Number:
MFCD00013930
IUPAC Name:
(2,4-dichlorophenyl)boronic acid
InChI:
InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChI Key:
QNEGDGPAXKYZHZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)B(O)O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.814g/mol
Monoisotopic Mass:
189.976g/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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