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163680-70-4

163680-70-4 | Boronic acid, B-[4-[(phenylmethoxy)methyl]phenyl]-

CAS No: 163680-70-4 Catalog No: AG001UB3 MDL No:

Product Description

Catalog Number:
AG001UB3
Chemical Name:
Boronic acid, B-[4-[(phenylmethoxy)methyl]phenyl]-
CAS Number:
163680-70-4
Molecular Formula:
C14H15BO3
Molecular Weight:
242.0781
IUPAC Name:
[4-(phenylmethoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C14H15BO3/c16-15(17)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9,16-17H,10-11H2
InChI Key:
DUQAUOQOQPYBEN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)COCc1ccccc1)O

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.081g/mol
Monoisotopic Mass:
242.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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