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508223-55-0 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
CAS No: 508223-55-0 Catalog No: AG00DLCG MDL No:MFCD16996231
Product Description
Catalog Number:
AG00DLCG
Chemical Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
CAS Number:
508223-55-0
Molecular Formula:
C13H17BF3NO2
Molecular Weight:
287.0858
MDL Number:
MFCD16996231
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)8-5-6-10(18)9(7-8)13(15,16)17/h5-7H,18H2,1-4H3
InChI Key:
MPVAGHXDGGCCHU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.13g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.089g/mol
Monoisotopic Mass:
287.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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