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Home > Boronic Acids > 1256355-11-9
1256355-11-9 | Carbamic acid, N-[4-borono-3,5-dimethylphenyl]-, C-(1,1-dimethylethyl) ester
CAS No: 1256355-11-9 Catalog No: AG000O2J MDL No:MFCD17214251
Product Description
Catalog Number:
AG000O2J
Chemical Name:
Carbamic acid, N-[4-borono-3,5-dimethylphenyl]-, C-(1,1-dimethylethyl) ester
CAS Number:
1256355-11-9
Molecular Formula:
C13H20BNO4
Molecular Weight:
265.1132
MDL Number:
MFCD17214251
IUPAC Name:
[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO4/c1-8-6-10(7-9(2)11(8)14(17)18)15-12(16)19-13(3,4)5/h6-7,17-18H,1-5H3,(H,15,16)
InChI Key:
DBCMLDOLGISAAM-UHFFFAOYSA-N
SMILES:
OB(c1c(C)cc(cc1C)NC(=O)OC(C)(C)C)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.149g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.116g/mol
Monoisotopic Mass:
265.149g/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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