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Home > Fluorides > 145698-42-6
145698-42-6 | Benzene, 4-[2-(4-ethylphenyl)ethynyl]-1,2-difluoro-
CAS No: 145698-42-6 Catalog No: AG001DAT MDL No:
Product Description
Catalog Number:
AG001DAT
Chemical Name:
Benzene, 4-[2-(4-ethylphenyl)ethynyl]-1,2-difluoro-
CAS Number:
145698-42-6
Molecular Formula:
C16H12F2
Molecular Weight:
242.2633
IUPAC Name:
4-[2-(4-ethylphenyl)ethynyl]-1,2-difluorobenzene
InChI:
InChI=1S/C16H12F2/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-15(17)16(18)11-14/h3-6,9-11H,2H2,1H3
InChI Key:
BQBFWCWEKVUCLZ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C#Cc1ccc(c(c1)F)F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.269g/mol
Monoisotopic Mass:
242.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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