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Home > Boronic Acids > 651326-79-3
651326-79-3 | 4,5,6-trifluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS No: 651326-79-3 Catalog No: AG01C59P MDL No:MFCD27926979
Product Description
Catalog Number:
AG01C59P
Chemical Name:
4,5,6-trifluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS Number:
651326-79-3
Molecular Formula:
C7H4BF3O2
Molecular Weight:
187.9117
MDL Number:
MFCD27926979
IUPAC Name:
4,5,6-trifluoro-1-hydroxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C7H4BF3O2/c9-5-1-4-3(2-13-8(4)12)6(10)7(5)11/h1,12H,2H2
InChI Key:
KZPWLOAEMJPCHA-UHFFFAOYSA-N
SMILES:
OB1OCc2c1cc(F)c(c2F)F
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.912g/mol
Monoisotopic Mass:
188.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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