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1309597-90-7 | Ethanone, 1-[4-chloro-5-(2-naphthalenyl)-2-thienyl]-
CAS No: 1309597-90-7 Catalog No: AG000V63 MDL No:
Product Description
Catalog Number:
AG000V63
Chemical Name:
Ethanone, 1-[4-chloro-5-(2-naphthalenyl)-2-thienyl]-
CAS Number:
1309597-90-7
Molecular Formula:
C16H11ClOS
Molecular Weight:
286.7759
IUPAC Name:
1-(4-chloro-5-naphthalen-2-ylthiophen-2-yl)ethanone
InChI:
InChI=1S/C16H11ClOS/c1-10(18)15-9-14(17)16(19-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3
InChI Key:
CLCABHHOUXFXOJ-UHFFFAOYSA-N
SMILES:
Clc1cc(sc1c1ccc2c(c1)cccc2)C(=O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.773g/mol
Monoisotopic Mass:
286.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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