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Home > Boronic Acids > 128733-85-7
128733-85-7 | Boronic acid, B-[5-(1,1-dimethylethyl)-2-methoxyphenyl]-
CAS No: 128733-85-7 Catalog No: AG000YCH MDL No:MFCD06201034
Product Description
Catalog Number:
AG000YCH
Chemical Name:
Boronic acid, B-[5-(1,1-dimethylethyl)-2-methoxyphenyl]-
CAS Number:
128733-85-7
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD06201034
IUPAC Name:
(5-tert-butyl-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C11H17BO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7,13-14H,1-4H3
InChI Key:
LXFOJKCQSAYVMF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)C(C)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.064g/mol
Monoisotopic Mass:
208.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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