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Home > Boronic Acids > 1217501-13-7
1217501-13-7 | Boronic acid, B-[5-(1,1-dimethylethyl)-2-ethoxyphenyl]-
CAS No: 1217501-13-7 Catalog No: AG0015RC MDL No:MFCD13195648
Product Description
Catalog Number:
AG0015RC
Chemical Name:
Boronic acid, B-[5-(1,1-dimethylethyl)-2-ethoxyphenyl]-
CAS Number:
1217501-13-7
Molecular Formula:
C12H19BO3
Molecular Weight:
222.0885
MDL Number:
MFCD13195648
IUPAC Name:
(5-tert-butyl-2-ethoxyphenyl)boronic acid
InChI:
InChI=1S/C12H19BO3/c1-5-16-11-7-6-9(12(2,3)4)8-10(11)13(14)15/h6-8,14-15H,5H2,1-4H3
InChI Key:
AYLPSEIACDGNHG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1B(O)O)C(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.091g/mol
Monoisotopic Mass:
222.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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