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Home > Boronic Acids > 1334325-11-9
1334325-11-9 | [2-(4-fluorophenoxymethyl)phenyl]boronic acid
CAS No: 1334325-11-9 Catalog No: AG019SF9 MDL No:MFCD16198509
Product Description
Catalog Number:
AG019SF9
Chemical Name:
[2-(4-fluorophenoxymethyl)phenyl]boronic acid
CAS Number:
1334325-11-9
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD16198509
IUPAC Name:
[2-[(4-fluorophenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)14(16)17/h1-8,16-17H,9H2
InChI Key:
ZQZAIIMLGZJOQD-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)OCc1ccccc1B(O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.044g/mol
Monoisotopic Mass:
246.086g/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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