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Home > Boronic Acids > 858364-78-0
858364-78-0 | (3-(tert-Butoxymethyl)phenyl)boronic acid
CAS No: 858364-78-0 Catalog No: AG004RBA MDL No:MFCD03788411
Product Description
Catalog Number:
AG004RBA
Chemical Name:
(3-(tert-Butoxymethyl)phenyl)boronic acid
CAS Number:
858364-78-0
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD03788411
IUPAC Name:
[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid
InChI:
InChI=1S/C11H17BO3/c1-11(2,3)15-8-9-5-4-6-10(7-9)12(13)14/h4-7,13-14H,8H2,1-3H3
InChI Key:
XAAQNVFGBHTNRX-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COC(C)(C)C)O
Properties
Complexity:
189
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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