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Home > Boronic Acids > 1418128-33-2
1418128-33-2 | 5-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 1418128-33-2 Catalog No: AG01DHOG MDL No:MFCD18383724
Product Description
Catalog Number:
AG01DHOG
Chemical Name:
5-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
1418128-33-2
Molecular Formula:
C13H19BFNO2
Molecular Weight:
251.1049
MDL Number:
MFCD18383724
IUPAC Name:
5-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C13H19BFNO2/c1-8-10(6-9(15)7-11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,16H2,1-5H3
InChI Key:
BHHFDPDYGAZFIE-UHFFFAOYSA-N
SMILES:
Fc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)N)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.149g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.108g/mol
Monoisotopic Mass:
251.149g/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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