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Home > Boronic Acids > 1256355-67-5
1256355-67-5 | Boronic acid, B-[2-[(3-cyanophenyl)methoxy]phenyl]-
CAS No: 1256355-67-5 Catalog No: AG000O56 MDL No:MFCD12463462
Product Description
Catalog Number:
AG000O56
Chemical Name:
Boronic acid, B-[2-[(3-cyanophenyl)methoxy]phenyl]-
CAS Number:
1256355-67-5
Molecular Formula:
C14H12BNO3
Molecular Weight:
253.0610
MDL Number:
MFCD12463462
IUPAC Name:
[2-[(3-cyanophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H12BNO3/c16-9-11-4-3-5-12(8-11)10-19-14-7-2-1-6-13(14)15(17)18/h1-8,17-18H,10H2
InChI Key:
GLFQWDKMRRYVDL-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)COc1ccccc1B(O)O
Properties
Complexity:
328
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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