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Home > Boronic Acids > 874289-18-6
874289-18-6 | (4-(tert-Butylcarbamoyl)-3-fluorophenyl)boronic acid
CAS No: 874289-18-6 Catalog No: AG0036CM MDL No:MFCD08689525
Product Description
Catalog Number:
AG0036CM
Chemical Name:
(4-(tert-Butylcarbamoyl)-3-fluorophenyl)boronic acid
CAS Number:
874289-18-6
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
MDL Number:
MFCD08689525
IUPAC Name:
[4-(tert-butylcarbamoyl)-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO3/c1-11(2,3)14-10(15)8-5-4-7(12(16)17)6-9(8)13/h4-6,16-17H,1-3H3,(H,14,15)
InChI Key:
JTJHFZWCZVEKGI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1F)B(O)O)NC(C)(C)C
Properties
Complexity:
280
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:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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