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Home > Boronic Acids > 849062-39-1
849062-39-1 | (3-Chloro-4-((4-fluorobenzyl)oxy)phenyl)boronic acid
CAS No: 849062-39-1 Catalog No: AG003J7P MDL No:MFCD06411358
Product Description
Catalog Number:
AG003J7P
Chemical Name:
(3-Chloro-4-((4-fluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
849062-39-1
Molecular Formula:
C13H11BClFO3
Molecular Weight:
280.4870
MDL Number:
MFCD06411358
IUPAC Name:
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BClFO3/c15-12-7-10(14(17)18)3-6-13(12)19-8-9-1-4-11(16)5-2-9/h1-7,17-18H,8H2
InChI Key:
GLLLLVYDIZNTKE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COc1ccc(cc1Cl)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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