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Home > Boronic Acids > 1256354-94-5
1256354-94-5 | Boronic acid, B-[4-chloro-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-fluorophenyl]-
CAS No: 1256354-94-5 Catalog No: AG000O30 MDL No:MFCD17015761
Product Description
Catalog Number:
AG000O30
Chemical Name:
Boronic acid, B-[4-chloro-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-fluorophenyl]-
CAS Number:
1256354-94-5
Molecular Formula:
C12H19BClFO3Si
Molecular Weight:
304.6254
MDL Number:
MFCD17015761
IUPAC Name:
[3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C12H19BClFO3Si/c1-12(2,3)19(4,5)18-11-9(14)7-6-8(10(11)15)13(16)17/h6-7,16-17H,1-5H3
InChI Key:
ULJYVSNUMFICIW-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1O[Si](C(C)(C)C)(C)C)F)B(O)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.624g/mol
Monoisotopic Mass:
304.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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