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13101-93-4 | Ethanone, 1-(5-chloro-6-methoxy-2-naphthalenyl)-
CAS No: 13101-93-4 Catalog No: AG000VCS MDL No:
Product Description
Catalog Number:
AG000VCS
Chemical Name:
Ethanone, 1-(5-chloro-6-methoxy-2-naphthalenyl)-
CAS Number:
13101-93-4
Molecular Formula:
C13H11ClO2
Molecular Weight:
234.6782
IUPAC Name:
1-(5-chloro-6-methoxynaphthalen-2-yl)ethanone
InChI:
InChI=1S/C13H11ClO2/c1-8(15)9-3-5-11-10(7-9)4-6-12(16-2)13(11)14/h3-7H,1-2H3
InChI Key:
HZZKQNQXGHJQRF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1Cl)ccc(c2)C(=O)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.679g/mol
Monoisotopic Mass:
234.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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