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Home > Boronic Acids > 850568-33-1
850568-33-1 | (4-(Diisopropylcarbamoyl)phenyl)boronic acid
CAS No: 850568-33-1 Catalog No: AG008GTI MDL No:MFCD06659884
Product Description
Catalog Number:
AG008GTI
Chemical Name:
(4-(Diisopropylcarbamoyl)phenyl)boronic acid
CAS Number:
850568-33-1
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD06659884
IUPAC Name:
[4-[di(propan-2-yl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO3/c1-9(2)15(10(3)4)13(16)11-5-7-12(8-6-11)14(17)18/h5-10,17-18H,1-4H3
InChI Key:
OUULWFOPBSMMAD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)N(C(C)C)C(C)C)O
Properties
Complexity:
265
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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