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Home > Boronic Acids > 870777-28-9
870777-28-9 | (3-Chloro-4-((2-fluorobenzyl)oxy)phenyl)boronic acid
CAS No: 870777-28-9 Catalog No: AG003J7K MDL No:MFCD06798082
Product Description
Catalog Number:
AG003J7K
Chemical Name:
(3-Chloro-4-((2-fluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
870777-28-9
Molecular Formula:
C13H11BClFO3
Molecular Weight:
280.4870
MDL Number:
MFCD06798082
IUPAC Name:
[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BClFO3/c15-11-7-10(14(17)18)5-6-13(11)19-8-9-3-1-2-4-12(9)16/h1-7,17-18H,8H2
InChI Key:
YDPXKZJRODTNBZ-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCc1ccccc1F)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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