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Home > Boronic Acids > 850568-14-8
850568-14-8 | [4-(tert-Butylcarbamoyl)phenyl]boronic acid
CAS No: 850568-14-8 Catalog No: AG0036EF MDL No:MFCD03788413
Product Description
Catalog Number:
AG0036EF
Chemical Name:
[4-(tert-Butylcarbamoyl)phenyl]boronic acid
CAS Number:
850568-14-8
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD03788413
IUPAC Name:
[4-(tert-butylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO3/c1-11(2,3)13-10(14)8-4-6-9(7-5-8)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChI Key:
JAIIZPWLCVMPFA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NC(C)(C)C)O
Properties
Complexity:
242
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:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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