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823808-76-0 | Benzoyl chloride, 4,4'-[2,7-bis(phenylethynyl)-9H-fluoren-9-ylidene]bis-
CAS No: 823808-76-0 Catalog No: AG004Y0P MDL No:
Product Description
Catalog Number:
AG004Y0P
Chemical Name:
Benzoyl chloride, 4,4'-[2,7-bis(phenylethynyl)-9H-fluoren-9-ylidene]bis-
CAS Number:
823808-76-0
Molecular Formula:
C43H24Cl2O2
Molecular Weight:
643.5555
IUPAC Name:
4-[9-(4-carbonochloridoylphenyl)-2,7-bis(2-phenylethynyl)fluoren-9-yl]benzoyl chloride
InChI:
InChI=1S/C43H24Cl2O2/c44-41(46)33-17-21-35(22-18-33)43(36-23-19-34(20-24-36)42(45)47)39-27-31(13-11-29-7-3-1-4-8-29)15-25-37(39)38-26-16-32(28-40(38)43)14-12-30-9-5-2-6-10-30/h1-10,15-28H
InChI Key:
PBFLRCIDSXWLAT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)C1(c2ccc(cc2)C(=O)Cl)c2cc(C#Cc3ccccc3)ccc2c2c1cc(C#Cc1ccccc1)cc2
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
642.115g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
643.563g/mol
Monoisotopic Mass:
642.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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