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844884-99-7 | 3-CHLORO-4'-(ETHYLTHIO)BENZOPHENONE
CAS No: 844884-99-7 Catalog No: AG0054R4 MDL No:MFCD06201493
Product Description
Catalog Number:
AG0054R4
Chemical Name:
3-CHLORO-4'-(ETHYLTHIO)BENZOPHENONE
CAS Number:
844884-99-7
Molecular Formula:
C15H13ClOS
Molecular Weight:
276.7811
MDL Number:
MFCD06201493
IUPAC Name:
(3-chlorophenyl)-(4-ethylsulfanylphenyl)methanone
InChI:
InChI=1S/C15H13ClOS/c1-2-18-14-8-6-11(7-9-14)15(17)12-4-3-5-13(16)10-12/h3-10H,2H2,1H3
InChI Key:
OXECCTFHEDCJGL-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)C(=O)c1cccc(c1)Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.778g/mol
Monoisotopic Mass:
276.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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