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Home > Boronic Acids > 1246633-55-5
1246633-55-5 | Boronic acid, B-[3-fluoro-2-(hydroxymethyl)phenyl]-
CAS No: 1246633-55-5 Catalog No: AG000MJX MDL No:MFCD13181611
Product Description
Catalog Number:
AG000MJX
Chemical Name:
Boronic acid, B-[3-fluoro-2-(hydroxymethyl)phenyl]-
CAS Number:
1246633-55-5
Molecular Formula:
C7H8BFO3
Molecular Weight:
169.9460
MDL Number:
MFCD13181611
IUPAC Name:
[3-fluoro-2-(hydroxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H8BFO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-3,10-12H,4H2
InChI Key:
FNZUUOCXJIJMBF-UHFFFAOYSA-N
SMILES:
OCc1c(F)cccc1B(O)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.946g/mol
Monoisotopic Mass:
170.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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