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Home > Boronic Acids > 170991-45-4
170991-45-4 | Boronic acid, [4-[2-(phenylmethoxy)ethyl]phenyl]-
CAS No: 170991-45-4 Catalog No: AG007U9B MDL No:
Product Description
Catalog Number:
AG007U9B
Chemical Name:
Boronic acid, [4-[2-(phenylmethoxy)ethyl]phenyl]-
CAS Number:
170991-45-4
Molecular Formula:
C15H17BO3
Molecular Weight:
256.1047
IUPAC Name:
[4-(2-phenylmethoxyethyl)phenyl]boronic acid
InChI:
InChI=1S/C15H17BO3/c17-16(18)15-8-6-13(7-9-15)10-11-19-12-14-4-2-1-3-5-14/h1-9,17-18H,10-12H2
InChI Key:
FLXCZXQZDKXMTK-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CCOCc1ccccc1)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.108g/mol
Monoisotopic Mass:
256.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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