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1359856-50-0 | 3-(5-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid
CAS No: 1359856-50-0 Catalog No: AG01EKTU MDL No:
Product Description
Catalog Number:
AG01EKTU
Chemical Name:
3-(5-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid
CAS Number:
1359856-50-0
Molecular Formula:
C10H10BFO4
Molecular Weight:
223.9934
IUPAC Name:
3-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid
InChI:
InChI=1S/C10H10BFO4/c12-8-3-6(1-2-9(13)14)10-7(4-8)5-16-11(10)15/h3-4,15H,1-2,5H2,(H,13,14)
InChI Key:
FLJUDIBPMNGMLQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(F)cc2c1B(O)OC2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.994g/mol
Monoisotopic Mass:
224.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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