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1256359-27-9 | Benzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)-
CAS No: 1256359-27-9 Catalog No: AG000O76 MDL No:MFCD16618968
Product Description
Catalog Number:
AG000O76
Chemical Name:
Benzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)-
CAS Number:
1256359-27-9
Molecular Formula:
C13H17BF3NO3
Molecular Weight:
303.0852
MDL Number:
MFCD16618968
IUPAC Name:
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)aniline
InChI:
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)9-6-5-8(7-10(9)18)19-13(15,16)17/h5-7H,18H2,1-4H3
InChI Key:
AEAKBFSIFAZERW-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1B1OC(C(O1)(C)C)(C)C)OC(F)(F)F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.088g/mol
Monoisotopic Mass:
303.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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