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Home > Boronic Acids > 1072946-28-1
1072946-28-1 | (3-(Diethylcarbamoyl);-2-fluorophenyl);boronic acid
CAS No: 1072946-28-1 Catalog No: AG007WO4 MDL No:MFCD10699633
Product Description
Catalog Number:
AG007WO4
Chemical Name:
(3-(Diethylcarbamoyl);-2-fluorophenyl);boronic acid
CAS Number:
1072946-28-1
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
MDL Number:
MFCD10699633
IUPAC Name:
[3-(diethylcarbamoyl)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)8-6-5-7-9(10(8)13)12(16)17/h5-7,16-17H,3-4H2,1-2H3
InChI Key:
DAQMDUIVKQVUMR-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cccc(c1F)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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