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157522-54-8 | Benzene, 1,1',1''-[[(2-bromoethyl)thio]methylidyne]tris-
CAS No: 157522-54-8 Catalog No: AG001PHK MDL No:
Product Description
Catalog Number:
AG001PHK
Chemical Name:
Benzene, 1,1',1''-[[(2-bromoethyl)thio]methylidyne]tris-
CAS Number:
157522-54-8
Molecular Formula:
C21H19BrS
Molecular Weight:
383.3446
IUPAC Name:
[2-bromoethylsulfanyl(diphenyl)methyl]benzene
InChI:
InChI=1S/C21H19BrS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChI Key:
LTIKGYXXFFGAEY-UHFFFAOYSA-N
SMILES:
BrCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.347g/mol
Monoisotopic Mass:
382.039g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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