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Home > Boronic Acids > 874459-76-4
874459-76-4 | 3-(Isobutyramido);benzeneboronic acid
CAS No: 874459-76-4 Catalog No: AG004FUN MDL No:MFCD08235080
Product Description
Catalog Number:
AG004FUN
Chemical Name:
3-(Isobutyramido);benzeneboronic acid
CAS Number:
874459-76-4
Molecular Formula:
C10H14BNO3
Molecular Weight:
207.0341
MDL Number:
MFCD08235080
IUPAC Name:
[3-(2-methylpropanoylamino)phenyl]boronic acid
InChI:
InChI=1S/C10H14BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
InChI Key:
HXBVOKMSEWLCKA-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1cccc(c1)B(O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.107g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.036g/mol
Monoisotopic Mass:
207.107g/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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