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Home > Boronic Acids > 237413-05-7
237413-05-7 | (3-(Diethylcarbamoyl)phenyl)boronic acid
CAS No: 237413-05-7 Catalog No: AG006V4Q MDL No:MFCD04115684
Product Description
Catalog Number:
AG006V4Q
Chemical Name:
(3-(Diethylcarbamoyl)phenyl)boronic acid
CAS Number:
237413-05-7
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD04115684
IUPAC Name:
[3-(diethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
InChI Key:
DDHUSSNOKNYLAI-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cccc(c1)B(O)O)CC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.063g/mol
Monoisotopic Mass:
221.122g/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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