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168787-56-2 | Cyclobuta[b]naphthalene, 3,8-dichloro-1,2-dihydro-1,1,2,2-tetraphenyl-
CAS No: 168787-56-2 Catalog No: AG001YAM MDL No:
Product Description
Catalog Number:
AG001YAM
Chemical Name:
Cyclobuta[b]naphthalene, 3,8-dichloro-1,2-dihydro-1,1,2,2-tetraphenyl-
CAS Number:
168787-56-2
Molecular Formula:
C36H24Cl2
Molecular Weight:
527.4818
IUPAC Name:
3,8-dichloro-1,1,2,2-tetraphenylcyclobuta[b]naphthalene
InChI:
InChI=1S/C36H24Cl2/c37-33-29-23-13-14-24-30(29)34(38)32-31(33)35(25-15-5-1-6-16-25,26-17-7-2-8-18-26)36(32,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H
InChI Key:
RFUZOUZSCMNNIU-UHFFFAOYSA-N
SMILES:
Clc1c2ccccc2c(c2c1C(C2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.126g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
527.488g/mol
Monoisotopic Mass:
526.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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