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Home > Boronic Acids > 1256358-54-9
1256358-54-9 | Boronic acid, B-[2-[(4-chlorophenyl)methoxy]-5-fluorophenyl]-
CAS No: 1256358-54-9 Catalog No: AG000O5S MDL No:MFCD12634062
Product Description
Catalog Number:
AG000O5S
Chemical Name:
Boronic acid, B-[2-[(4-chlorophenyl)methoxy]-5-fluorophenyl]-
CAS Number:
1256358-54-9
Molecular Formula:
C13H11BClFO3
Molecular Weight:
280.4870
MDL Number:
MFCD12634062
IUPAC Name:
[2-[(4-chlorophenyl)methoxy]-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C13H11BClFO3/c15-10-3-1-9(2-4-10)8-19-13-6-5-11(16)7-12(13)14(17)18/h1-7,17-18H,8H2
InChI Key:
YAQSCXUKRKPCPM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COc1ccc(cc1B(O)O)F
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.486g/mol
Monoisotopic Mass:
280.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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