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Home > Boronic Acids > 1451391-50-6
1451391-50-6 | Boronic acid, B-(2-chloro-3,5-dimethylphenyl)-
CAS No: 1451391-50-6 Catalog No: AG001KLY MDL No:MFCD22543707
Product Description
Catalog Number:
AG001KLY
Chemical Name:
Boronic acid, B-(2-chloro-3,5-dimethylphenyl)-
CAS Number:
1451391-50-6
Molecular Formula:
C8H10BClO2
Molecular Weight:
184.4278
MDL Number:
MFCD22543707
IUPAC Name:
(2-chloro-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H10BClO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,11-12H,1-2H3
InChI Key:
RXDUWKGWESJHII-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)B(O)O)Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.426g/mol
Monoisotopic Mass:
184.046g/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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