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Home > Boronic Acids > 947168-20-9
947168-20-9 | 5-fluoro-6-(hydroxymethyl)-3-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS No: 947168-20-9 Catalog No: AG01BVF6 MDL No:MFCD28166776
Product Description
Catalog Number:
AG01BVF6
Chemical Name:
5-fluoro-6-(hydroxymethyl)-3-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS Number:
947168-20-9
Molecular Formula:
C9H10BFO3
Molecular Weight:
195.9833
MDL Number:
MFCD28166776
IUPAC Name:
(5-fluoro-1-hydroxy-3-methyl-3H-2,1-benzoxaborol-6-yl)methanol
InChI:
InChI=1S/C9H10BFO3/c1-5-7-3-9(11)6(4-12)2-8(7)10(13)14-5/h2-3,5,12-13H,4H2,1H3
InChI Key:
JYBARHCCFSYVDN-UHFFFAOYSA-N
SMILES:
OCc1cc2B(O)OC(c2cc1F)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.984g/mol
Monoisotopic Mass:
196.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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