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Home > Boronic Acids > 850568-32-0
850568-32-0 | (4-(Dipropylcarbamoyl);phenyl);boronic acid
CAS No: 850568-32-0 Catalog No: AG008GTJ MDL No:MFCD06659883
Product Description
Catalog Number:
AG008GTJ
Chemical Name:
(4-(Dipropylcarbamoyl);phenyl);boronic acid
CAS Number:
850568-32-0
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD06659883
IUPAC Name:
[4-(dipropylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO3/c1-3-9-15(10-4-2)13(16)11-5-7-12(8-6-11)14(17)18/h5-8,17-18H,3-4,9-10H2,1-2H3
InChI Key:
YMGIJQOMEWJVKA-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)c1ccc(cc1)B(O)O)CCC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.117g/mol
Monoisotopic Mass:
249.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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