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Home > Boronic Acids > 1256355-86-8
1256355-86-8 | Boronic acid, B-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-
CAS No: 1256355-86-8 Catalog No: AG000O4O MDL No:MFCD12634044
Product Description
Catalog Number:
AG000O4O
Chemical Name:
Boronic acid, B-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-
CAS Number:
1256355-86-8
Molecular Formula:
C13H11BClFO3
Molecular Weight:
280.4870
MDL Number:
MFCD12634044
IUPAC Name:
[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BClFO3/c15-13-7-11(16)4-1-9(13)8-19-12-5-2-10(3-6-12)14(17)18/h1-7,17-18H,8H2
InChI Key:
KEFWTNCBALFSDI-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)COc1ccc(cc1)B(O)O
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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