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Home > Boronic Acids > 850567-40-7
850567-40-7 | (3-(Diisopropylcarbamoyl)phenyl)boronic acid
CAS No: 850567-40-7 Catalog No: AG004PCF MDL No:MFCD06659890
Product Description
Catalog Number:
AG004PCF
Chemical Name:
(3-(Diisopropylcarbamoyl)phenyl)boronic acid
CAS Number:
850567-40-7
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD06659890
IUPAC Name:
[3-[di(propan-2-yl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO3/c1-9(2)15(10(3)4)13(16)11-6-5-7-12(8-11)14(17)18/h5-10,17-18H,1-4H3
InChI Key:
WNUHFLVEXCGDIK-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)c1cccc(c1)B(O)O)C(C)C)C
Properties
Complexity:
273
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:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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