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Home > Fluorides > 130746-61-1
130746-61-1 | Benzene, 1-butoxy-4-[2-(4-fluorophenyl)ethynyl]-
CAS No: 130746-61-1 Catalog No: AG000UWU MDL No:
Product Description
Catalog Number:
AG000UWU
Chemical Name:
Benzene, 1-butoxy-4-[2-(4-fluorophenyl)ethynyl]-
CAS Number:
130746-61-1
Molecular Formula:
C18H17FO
Molecular Weight:
268.3254
IUPAC Name:
1-butoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
InChI:
InChI=1S/C18H17FO/c1-2-3-14-20-18-12-8-16(9-13-18)5-4-15-6-10-17(19)11-7-15/h6-13H,2-3,14H2,1H3
InChI Key:
WQEOBOLNUAJZQI-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C#Cc1ccc(cc1)F
EC Number:
603-432-3
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.331g/mol
Monoisotopic Mass:
268.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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