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Home > Boronic Acids > 1220625-04-6
1220625-04-6 | Boronic acid, B-[5-(1,1-dimethylethyl)-2-(phenylmethoxy)phenyl]-
CAS No: 1220625-04-6 Catalog No: AG0016P2 MDL No:MFCD18383785
Product Description
Catalog Number:
AG0016P2
Chemical Name:
Boronic acid, B-[5-(1,1-dimethylethyl)-2-(phenylmethoxy)phenyl]-
CAS Number:
1220625-04-6
Molecular Formula:
C17H21BO3
Molecular Weight:
284.1578
MDL Number:
MFCD18383785
IUPAC Name:
(5-tert-butyl-2-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C17H21BO3/c1-17(2,3)14-9-10-16(15(11-14)18(19)20)21-12-13-7-5-4-6-8-13/h4-11,19-20H,12H2,1-3H3
InChI Key:
LRTVCRYAQQIJBL-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1OCc1ccccc1)C(C)(C)C)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.162g/mol
Monoisotopic Mass:
284.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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