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Home > Boronic Acids > 850568-13-7
850568-13-7 | (4-(Isobutylcarbamoyl);phenyl);boronic acid
CAS No: 850568-13-7 Catalog No: AG004PC5 MDL No:MFCD03411955
Product Description
Catalog Number:
AG004PC5
Chemical Name:
(4-(Isobutylcarbamoyl);phenyl);boronic acid
CAS Number:
850568-13-7
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD03411955
IUPAC Name:
[4-(2-methylpropylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO3/c1-8(2)7-13-11(14)9-3-5-10(6-4-9)12(15)16/h3-6,8,15-16H,7H2,1-2H3,(H,13,14)
InChI Key:
DUBSEAOPNSRHHN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NCC(C)C)O
Properties
Complexity:
225
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:
3
Isotope Atom Count:
0
Molecular Weight:
221.063g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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