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Home > Boronic Acids > 1150114-51-4
1150114-51-4 | Boronic acid, B-(3,5-difluoro-2-hydroxyphenyl)-
CAS No: 1150114-51-4 Catalog No: AG000FMQ MDL No:MFCD03095356
Product Description
Catalog Number:
AG000FMQ
Chemical Name:
Boronic acid, B-(3,5-difluoro-2-hydroxyphenyl)-
CAS Number:
1150114-51-4
Molecular Formula:
C6H5BF2O3
Molecular Weight:
173.9099
MDL Number:
MFCD03095356
IUPAC Name:
(3,5-difluoro-2-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H5BF2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10-12H
InChI Key:
DMZXNOGEVAESIC-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1)B(O)O)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.91g/mol
Monoisotopic Mass:
174.03g/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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