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24845-45-2 | Chalcone, 3-chloro-4'-hydroxy-α-phenyl- (8CI)
CAS No: 24845-45-2 Catalog No: AG002PMY MDL No:
Product Description
Catalog Number:
AG002PMY
Chemical Name:
Chalcone, 3-chloro-4'-hydroxy-α-phenyl- (8CI)
CAS Number:
24845-45-2
Molecular Formula:
C21H15ClO2
Molecular Weight:
334.7956
IUPAC Name:
3-(3-chlorophenyl)-1-(4-hydroxyphenyl)-2-phenylprop-2-en-1-one
InChI:
InChI=1S/C21H15ClO2/c22-18-8-4-5-15(13-18)14-20(16-6-2-1-3-7-16)21(24)17-9-11-19(23)12-10-17/h1-14,23H
InChI Key:
DRMUAKFZNBEHNS-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)C(=Cc1cccc(c1)Cl)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.076g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.799g/mol
Monoisotopic Mass:
334.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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