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Home > Boronic Acids > 1072951-37-1
1072951-37-1 | (2,4,6-Trifluoro-3-hydroxyphenyl)boronic acid
CAS No: 1072951-37-1 Catalog No: AG003BKQ MDL No:MFCD11053885
Product Description
Catalog Number:
AG003BKQ
Chemical Name:
(2,4,6-Trifluoro-3-hydroxyphenyl)boronic acid
CAS Number:
1072951-37-1
Molecular Formula:
C6H4BF3O3
Molecular Weight:
191.9004
MDL Number:
MFCD11053885
IUPAC Name:
(2,4,6-trifluoro-3-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H4BF3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11-13H
InChI Key:
LKUKEGVNXUPRQC-UHFFFAOYSA-N
SMILES:
OB(c1c(F)cc(c(c1F)O)F)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.9g/mol
Monoisotopic Mass:
192.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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