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80687-01-0 | 2-Propen-1-one, 1-(3,5-dichloro-2-hydroxyphenyl)-3-(1-naphthalenyl)-
CAS No: 80687-01-0 Catalog No: AG005JXP MDL No:
Product Description
Catalog Number:
AG005JXP
Chemical Name:
2-Propen-1-one, 1-(3,5-dichloro-2-hydroxyphenyl)-3-(1-naphthalenyl)-
CAS Number:
80687-01-0
Molecular Formula:
C19H12Cl2O2
Molecular Weight:
343.2034
IUPAC Name:
1-(3,5-dichloro-2-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
InChI:
InChI=1S/C19H12Cl2O2/c20-14-10-16(19(23)17(21)11-14)18(22)9-8-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,23H
InChI Key:
MPQJIVLOFLELNR-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)C(=O)C=Cc1cccc2c1cccc2)O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.021g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.203g/mol
Monoisotopic Mass:
342.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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