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182047-76-3 | Benzoyl chloride, 3,5-bis(2-phenylethynyl)-
CAS No: 182047-76-3 Catalog No: AG0023A9 MDL No:
Product Description
Catalog Number:
AG0023A9
Chemical Name:
Benzoyl chloride, 3,5-bis(2-phenylethynyl)-
CAS Number:
182047-76-3
Molecular Formula:
C23H13ClO
Molecular Weight:
340.8017
IUPAC Name:
3,5-bis(2-phenylethynyl)benzoyl chloride
InChI:
InChI=1S/C23H13ClO/c24-23(25)22-16-20(13-11-18-7-3-1-4-8-18)15-21(17-22)14-12-19-9-5-2-6-10-19/h1-10,15-17H
InChI Key:
JTTPLQWUFFWXAS-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(C#Cc2ccccc2)cc(c1)C#Cc1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.065g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.806g/mol
Monoisotopic Mass:
340.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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