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Home > Boronic Acids > 1256360-36-7
1256360-36-7 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)aniline
CAS No: 1256360-36-7 Catalog No: AG009BRF MDL No:MFCD16996388
Product Description
Catalog Number:
AG009BRF
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)aniline
CAS Number:
1256360-36-7
Molecular Formula:
C13H17BF3NO3
Molecular Weight:
303.0852
MDL Number:
MFCD16996388
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)aniline
InChI:
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)8-5-6-9(18)10(7-8)19-13(15,16)17/h5-7H,18H2,1-4H3
InChI Key:
FCHSZRYGYSELEY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
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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