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Home > Fluorides > 204919-76-6
204919-76-6 | Benzoic acid, 4-[2-(4-fluorophenyl)ethynyl]-
CAS No: 204919-76-6 Catalog No: AG0029RD MDL No:
Product Description
Catalog Number:
AG0029RD
Chemical Name:
Benzoic acid, 4-[2-(4-fluorophenyl)ethynyl]-
CAS Number:
204919-76-6
Molecular Formula:
C15H9FO2
Molecular Weight:
240.2292
IUPAC Name:
4-[2-(4-fluorophenyl)ethynyl]benzoic acid
InChI:
InChI=1S/C15H9FO2/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h3-10H,(H,17,18)
InChI Key:
SRIBEYIOEVTIOV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C#Cc1ccc(cc1)C(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.233g/mol
Monoisotopic Mass:
240.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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