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Home > Boronic Acids > 729558-57-0
729558-57-0 | [2-(phenoxymethyl)phenyl]boronic acid
CAS No: 729558-57-0 Catalog No: AG019SAW MDL No:MFCD16198515
Product Description
Catalog Number:
AG019SAW
Chemical Name:
[2-(phenoxymethyl)phenyl]boronic acid
CAS Number:
729558-57-0
Molecular Formula:
C13H13BO3
Molecular Weight:
228.0515
MDL Number:
MFCD16198515
IUPAC Name:
[2-(phenoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H13BO3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9,15-16H,10H2
InChI Key:
BROFDLKZYPPYGJ-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1COc1ccccc1)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.054g/mol
Monoisotopic Mass:
228.096g/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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