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Home > Aldehydes > 259196-25-3
259196-25-3 | 9-Anthracenecarboxaldehyde, 10-[(4-chlorophenyl)thio]-
CAS No: 259196-25-3 Catalog No: AG002R0Y MDL No:
Product Description
Catalog Number:
AG002R0Y
Chemical Name:
9-Anthracenecarboxaldehyde, 10-[(4-chlorophenyl)thio]-
CAS Number:
259196-25-3
Molecular Formula:
C21H13ClOS
Molecular Weight:
348.8453
IUPAC Name:
10-(4-chlorophenyl)sulfanylanthracene-9-carbaldehyde
InChI:
InChI=1S/C21H13ClOS/c22-14-9-11-15(12-10-14)24-21-18-7-3-1-5-16(18)20(13-23)17-6-2-4-8-19(17)21/h1-13H
InChI Key:
GZVXIIRMLOKBHF-UHFFFAOYSA-N
SMILES:
O=Cc1c2ccccc2c(c2c1cccc2)Sc1ccc(cc1)Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.038g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.844g/mol
Monoisotopic Mass:
348.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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