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Home > Boronic Acids > 883727-43-3
883727-43-3 | N-PHENYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL) ANILINE
CAS No: 883727-43-3 Catalog No: AG004MAK MDL No:
Product Description
Catalog Number:
AG004MAK
Chemical Name:
N-PHENYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL) ANILINE
CAS Number:
883727-43-3
Molecular Formula:
C19H21BF3NO2
Molecular Weight:
363.1817
IUPAC Name:
N-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C19H21BF3NO2/c1-17(2)18(3,4)26-20(25-17)15-12-13(19(21,22)23)10-11-16(15)24-14-8-6-5-7-9-14/h5-12,24H,1-4H3
InChI Key:
YQVBPUQBMBWTOG-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(ccc1Nc1ccccc1)C(F)(F)F
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.187g/mol
Monoisotopic Mass:
363.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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