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Home > Boronic Acids > 874289-17-5
874289-17-5 | (4-(Butylcarbamoyl);-3-fluorophenyl);boronic acid
CAS No: 874289-17-5 Catalog No: AG008DGL MDL No:MFCD08689527
Product Description
Catalog Number:
AG008DGL
Chemical Name:
(4-(Butylcarbamoyl);-3-fluorophenyl);boronic acid
CAS Number:
874289-17-5
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
MDL Number:
MFCD08689527
IUPAC Name:
[4-(butylcarbamoyl)-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO3/c1-2-3-6-14-11(15)9-5-4-8(12(16)17)7-10(9)13/h4-5,7,16-17H,2-3,6H2,1H3,(H,14,15)
InChI Key:
SIJLGEGFWPWWCS-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccc(cc1F)B(O)O
Properties
Complexity:
253
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:
3
Isotope Atom Count:
0
Molecular Weight:
239.053g/mol
Monoisotopic Mass:
239.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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