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88098-79-7 | 1-Propanone, 1-benzo[b]thien-3-yl-3-chloro-
CAS No: 88098-79-7 Catalog No: AG004G8A MDL No:
Product Description
Catalog Number:
AG004G8A
Chemical Name:
1-Propanone, 1-benzo[b]thien-3-yl-3-chloro-
CAS Number:
88098-79-7
Molecular Formula:
C11H9ClOS
Molecular Weight:
224.7066
IUPAC Name:
1-(1-benzothiophen-3-yl)-3-chloropropan-1-one
InChI:
InChI=1S/C11H9ClOS/c12-6-5-10(13)9-7-14-11-4-2-1-3-8(9)11/h1-4,7H,5-6H2
InChI Key:
NRUAUZRCHDQERU-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1csc2c1cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.702g/mol
Monoisotopic Mass:
224.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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