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Home > Fluorides > 114312-47-9
114312-47-9 | Benzoic acid, 2-[(3-fluorophenoxy)methyl]-
CAS No: 114312-47-9 Catalog No: AG000B23 MDL No:MFCD12072102
Product Description
Catalog Number:
AG000B23
Chemical Name:
Benzoic acid, 2-[(3-fluorophenoxy)methyl]-
CAS Number:
114312-47-9
Molecular Formula:
C14H11FO3
Molecular Weight:
246.2337
MDL Number:
MFCD12072102
IUPAC Name:
2-[(3-fluorophenoxy)methyl]benzoic acid
InChI:
InChI=1S/C14H11FO3/c15-11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:
MRHZIOQBQSNKPJ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)OCc1ccccc1C(=O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.237g/mol
Monoisotopic Mass:
246.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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