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Home > Boronic Acids > 1333391-62-0
1333391-62-0 | (2-(ETHOXYMETHYL)-5-FLUOROPHENYL)BORONIC ACID
CAS No: 1333391-62-0 Catalog No: AG01DMHK MDL No:
Product Description
Catalog Number:
AG01DMHK
Chemical Name:
(2-(ETHOXYMETHYL)-5-FLUOROPHENYL)BORONIC ACID
CAS Number:
1333391-62-0
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
IUPAC Name:
[2-(ethoxymethyl)-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C9H12BFO3/c1-2-14-6-7-3-4-8(11)5-9(7)10(12)13/h3-5,12-13H,2,6H2,1H3
InChI Key:
JTZHMOXBRKIIQG-UHFFFAOYSA-N
SMILES:
CCOCc1ccc(cc1B(O)O)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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