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80034-38-4 | Naphthacene, 5,12-dichloro-6,11-bis(phenylethynyl)-
CAS No: 80034-38-4 Catalog No: AG0055GN MDL No:
Product Description
Catalog Number:
AG0055GN
Chemical Name:
Naphthacene, 5,12-dichloro-6,11-bis(phenylethynyl)-
CAS Number:
80034-38-4
Molecular Formula:
C34H18Cl2
Molecular Weight:
497.4127
IUPAC Name:
5,12-dichloro-6,11-bis(2-phenylethynyl)tetracene
InChI:
InChI=1S/C34H18Cl2/c35-33-29-17-9-10-18-30(29)34(36)32-28(22-20-24-13-5-2-6-14-24)26-16-8-7-15-25(26)27(31(32)33)21-19-23-11-3-1-4-12-23/h1-18H
InChI Key:
PFMDRNVJCADZIB-UHFFFAOYSA-N
SMILES:
Clc1c2c(C#Cc3ccccc3)c3ccccc3c(c2c(c2c1cccc2)Cl)C#Cc1ccccc1
Properties
Complexity:
809
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.079g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.418g/mol
Monoisotopic Mass:
496.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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