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83694-72-8 | Benzene, 1-(4-bromophenoxy)-3-(phenylethynyl)-
CAS No: 83694-72-8 Catalog No: AG004T84 MDL No:
Product Description
Catalog Number:
AG004T84
Chemical Name:
Benzene, 1-(4-bromophenoxy)-3-(phenylethynyl)-
CAS Number:
83694-72-8
Molecular Formula:
C20H13BrO
Molecular Weight:
349.2206
IUPAC Name:
1-bromo-4-[3-(2-phenylethynyl)phenoxy]benzene
InChI:
InChI=1S/C20H13BrO/c21-18-11-13-19(14-12-18)22-20-8-4-7-17(15-20)10-9-16-5-2-1-3-6-16/h1-8,11-15H
InChI Key:
NTVHIAVFVDVKAM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Oc1cccc(c1)C#Cc1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.015g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.227g/mol
Monoisotopic Mass:
348.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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