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146140-95-6 | Boronic acid, B-[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-
CAS No: 146140-95-6 Catalog No: AG001DQM MDL No:MFCD02179450
Product Description
Catalog Number:
AG001DQM
Chemical Name:
Boronic acid, B-[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-
CAS Number:
146140-95-6
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD02179450
IUPAC Name:
[2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO3/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChI Key:
MXRAJVMTCAUABO-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccccc1B(O)O
Properties
Complexity:
250
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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