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Home > Boronic Acids > 874289-47-1
874289-47-1 | (5-(Diethylcarbamoyl)-2-fluorophenyl)boronic acid
CAS No: 874289-47-1 Catalog No: AG0036BP MDL No:MFCD08436045
Product Description
Catalog Number:
AG0036BP
Chemical Name:
(5-(Diethylcarbamoyl)-2-fluorophenyl)boronic acid
CAS Number:
874289-47-1
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
MDL Number:
MFCD08436045
IUPAC Name:
[5-(diethylcarbamoyl)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)8-5-6-10(13)9(7-8)12(16)17/h5-7,16-17H,3-4H2,1-2H3
InChI Key:
NTSWNBMMPRHGHE-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccc(c(c1)B(O)O)F)CC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.053g/mol
Monoisotopic Mass:
239.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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