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Home > Boronic Acids > 1701449-93-5
1701449-93-5 | 2,3-Difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 1701449-93-5 Catalog No: AG00HZDM MDL No:MFCD18434474
Product Description
Catalog Number:
AG00HZDM
Chemical Name:
2,3-Difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
1701449-93-5
Molecular Formula:
C12H16BF2NO2
Molecular Weight:
255.0687
MDL Number:
MFCD18434474
IUPAC Name:
2,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C12H16BF2NO2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(15)9(16)6-7/h5-6H,16H2,1-4H3
InChI Key:
AYBZQVJYXVNTAD-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.072g/mol
Monoisotopic Mass:
255.124g/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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