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Home > Boronic Acids > 1256355-72-2
1256355-72-2 | Boronic acid, B-[3-[(4-cyanophenyl)methoxy]phenyl]-
CAS No: 1256355-72-2 Catalog No: AG000O51 MDL No:MFCD12463473
Product Description
Catalog Number:
AG000O51
Chemical Name:
Boronic acid, B-[3-[(4-cyanophenyl)methoxy]phenyl]-
CAS Number:
1256355-72-2
Molecular Formula:
C14H12BNO3
Molecular Weight:
253.0610
MDL Number:
MFCD12463473
IUPAC Name:
[3-[(4-cyanophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H12BNO3/c16-9-11-4-6-12(7-5-11)10-19-14-3-1-2-13(8-14)15(17)18/h1-8,17-18H,10H2
InChI Key:
NWEBJLANUDYFMY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)COc1cccc(c1)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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