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Home > Boronic Acids > 110458-70-3
110458-70-3 | Boronic acid, [4-[(2S)-2-methylbutoxy]phenyl]-
CAS No: 110458-70-3 Catalog No: AG007CTI MDL No:
Product Description
Catalog Number:
AG007CTI
Chemical Name:
Boronic acid, [4-[(2S)-2-methylbutoxy]phenyl]-
CAS Number:
110458-70-3
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
IUPAC Name:
[4-(2-methylbutoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H17BO3/c1-3-9(2)8-15-11-6-4-10(5-7-11)12(13)14/h4-7,9,13-14H,3,8H2,1-2H3
InChI Key:
PPIDNKPQNYFIAK-UHFFFAOYSA-N
SMILES:
CC[C@@H](COc1ccc(cc1)B(O)O)C
Properties
Complexity:
167
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:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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