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Home > Boronic Acids > 871126-28-2
871126-28-2 | (2,3,5,6-Tetrafluoro-4-isopropoxyphenyl)boronic acid
CAS No: 871126-28-2 Catalog No: AG003BKG MDL No:MFCD07784383
Product Description
Catalog Number:
AG003BKG
Chemical Name:
(2,3,5,6-Tetrafluoro-4-isopropoxyphenyl)boronic acid
CAS Number:
871126-28-2
Molecular Formula:
C9H9BF4O3
Molecular Weight:
251.9706
MDL Number:
MFCD07784383
IUPAC Name:
(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H9BF4O3/c1-3(2)17-9-7(13)5(11)4(10(15)16)6(12)8(9)14/h3,15-16H,1-2H3
InChI Key:
YOXGBYWSEKQTAW-UHFFFAOYSA-N
SMILES:
CC(Oc1c(F)c(F)c(c(c1F)F)B(O)O)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.972g/mol
Monoisotopic Mass:
252.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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