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Home > Boronic Acids > 947165-12-0
947165-12-0 | 5-fluoro-6-(hydroxymethyl)-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS No: 947165-12-0 Catalog No: AG01B6C2 MDL No:MFCD28166740
Product Description
Catalog Number:
AG01B6C2
Chemical Name:
5-fluoro-6-(hydroxymethyl)-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS Number:
947165-12-0
Molecular Formula:
C8H8BFO3
Molecular Weight:
181.9567
MDL Number:
MFCD28166740
IUPAC Name:
(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)methanol
InChI:
InChI=1S/C8H8BFO3/c10-8-2-6-4-13-9(12)7(6)1-5(8)3-11/h1-2,11-12H,3-4H2
InChI Key:
CLDUWYKGTFMIOK-UHFFFAOYSA-N
SMILES:
OCc1cc2B(O)OCc2cc1F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.957g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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