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896618-56-7 | 3-(4-CHLOROBENZOYL)THIOPHENE
CAS No: 896618-56-7 Catalog No: AG0044WS MDL No:MFCD07699023
Product Description
Catalog Number:
AG0044WS
Chemical Name:
3-(4-CHLOROBENZOYL)THIOPHENE
CAS Number:
896618-56-7
Molecular Formula:
C11H7ClOS
Molecular Weight:
222.6907
MDL Number:
MFCD07699023
IUPAC Name:
(4-chlorophenyl)-thiophen-3-ylmethanone
InChI:
InChI=1S/C11H7ClOS/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-7H
InChI Key:
IFRXOWGOSPXHTG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1cscc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.686g/mol
Monoisotopic Mass:
221.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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