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Home > Boronic Acids > 1451391-51-7
1451391-51-7 | 2,6-DICHLORO-4-METHYLPHENYLBORONIC ACID[095H]
CAS No: 1451391-51-7 Catalog No: AG01DDZ2 MDL No:MFCD11044927
Product Description
Catalog Number:
AG01DDZ2
Chemical Name:
2,6-DICHLORO-4-METHYLPHENYLBORONIC ACID[095H]
CAS Number:
1451391-51-7
Molecular Formula:
C7H7BCl2O2
Molecular Weight:
204.8463
MDL Number:
MFCD11044927
IUPAC Name:
(2,6-dichloro-4-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BCl2O2/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,11-12H,1H3
InChI Key:
ZNIJWHBCKYZTFC-UHFFFAOYSA-N
SMILES:
OB(c1c(Cl)cc(cc1Cl)C)O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.841g/mol
Monoisotopic Mass:
203.992g/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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