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Home > Boronic Acids > 115377-94-1
115377-94-1 | Carbamic acid, N-(2-boronophenyl)-, 1,1-dimethylethyl ester
CAS No: 115377-94-1 Catalog No: AG000GO0 MDL No:MFCD02179450
Product Description
Catalog Number:
AG000GO0
Chemical Name:
Carbamic acid, N-(2-boronophenyl)-, 1,1-dimethylethyl ester
CAS Number:
115377-94-1
Molecular Formula:
C11H16BNO4
Molecular Weight:
237.0600
MDL Number:
MFCD02179450
IUPAC Name:
[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChI Key:
RMEIKYSECODAHJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccccc1B(O)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:
237.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.062g/mol
Monoisotopic Mass:
237.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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