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Home > Boronic Acids > 871332-64-8

871332-64-8

871332-64-8 | (3-(Diethylcarbamoyl);-5-fluorophenyl);boronic acid

CAS No: 871332-64-8 Catalog No: AG004OT5 MDL No:MFCD07363794

Product Description

Catalog Number:
AG004OT5
Chemical Name:
(3-(Diethylcarbamoyl);-5-fluorophenyl);boronic acid
CAS Number:
871332-64-8
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
MDL Number:
MFCD07363794
IUPAC Name:
[3-(diethylcarbamoyl)-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)8-5-9(12(16)17)7-10(13)6-8/h5-7,16-17H,3-4H2,1-2H3
InChI Key:
PWFQDNPXVAYCOK-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc(F)cc(c1)B(O)O)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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