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Home > Boronic Acids > 1256358-43-6
1256358-43-6 | Boronic acid, B-[4-[(2-cyanophenyl)methoxy]phenyl]-
CAS No: 1256358-43-6 Catalog No: AG000O4N MDL No:MFCD12634045
Product Description
Catalog Number:
AG000O4N
Chemical Name:
Boronic acid, B-[4-[(2-cyanophenyl)methoxy]phenyl]-
CAS Number:
1256358-43-6
Molecular Formula:
C14H12BNO3
Molecular Weight:
253.0610
MDL Number:
MFCD12634045
IUPAC Name:
[4-[(2-cyanophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H12BNO3/c16-9-11-3-1-2-4-12(11)10-19-14-7-5-13(6-8-14)15(17)18/h1-8,17-18H,10H2
InChI Key:
GQJXMTNIYDUFJH-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1COc1ccc(cc1)B(O)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.064g/mol
Monoisotopic Mass:
253.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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