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Home > Boronic Acids > 1256358-45-8
1256358-45-8 | Boronic acid, B-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-
CAS No: 1256358-45-8 Catalog No: AG000O5Z MDL No:MFCD12634048
Product Description
Catalog Number:
AG000O5Z
Chemical Name:
Boronic acid, B-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-
CAS Number:
1256358-45-8
Molecular Formula:
C13H11BClFO3
Molecular Weight:
280.4870
MDL Number:
MFCD12634048
IUPAC Name:
[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BClFO3/c15-13-7-11(16)5-4-9(13)8-19-12-3-1-2-10(6-12)14(17)18/h1-7,17-18H,8H2
InChI Key:
IFDDLUOJDSKVCV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)COc1cccc(c1)B(O)O
Properties
Complexity:
283
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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