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Home > Boronic Acids > 1256355-80-2
1256355-80-2 | Boronic acid, B-[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]-
CAS No: 1256355-80-2 Catalog No: AG000O4T MDL No:
Product Description
Catalog Number:
AG000O4T
Chemical Name:
Boronic acid, B-[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]-
CAS Number:
1256355-80-2
Molecular Formula:
C13H11BClFO3
Molecular Weight:
280.4870
IUPAC Name:
[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C13H11BClFO3/c15-12-4-2-1-3-9(12)8-19-13-6-5-10(16)7-11(13)14(17)18/h1-7,17-18H,8H2
InChI Key:
OAABGVGNAHTONF-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)OCc1ccccc1Cl
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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