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Home > Boronic Acids > 1027045-31-3
1027045-31-3 | Boronic acid, B-(4-chloro-2,6-dimethylphenyl)-
CAS No: 1027045-31-3 Catalog No: AG00085Y MDL No:MFCD10566594
Product Description
Catalog Number:
AG00085Y
Chemical Name:
Boronic acid, B-(4-chloro-2,6-dimethylphenyl)-
CAS Number:
1027045-31-3
Molecular Formula:
C8H10BClO2
Molecular Weight:
184.4278
MDL Number:
MFCD10566594
IUPAC Name:
(4-chloro-2,6-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H10BClO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,11-12H,1-2H3
InChI Key:
FVASMUNXBUYNIX-UHFFFAOYSA-N
SMILES:
OB(c1c(C)cc(cc1C)Cl)O
Properties
Complexity:
142
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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