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86073-63-4

86073-63-4 | 4'-CHLORO-7-METHOXY-3-METHYL-8-(PIPERIDIN-1-YLMETHYL)FLAVONE

CAS No: 86073-63-4 Catalog No: AG004L3K MDL No:

Product Description

Catalog Number:
AG004L3K
Chemical Name:
4'-CHLORO-7-METHOXY-3-METHYL-8-(PIPERIDIN-1-YLMETHYL)FLAVONE
CAS Number:
86073-63-4
Molecular Formula:
C23H24ClNO3
Molecular Weight:
397.8946
IUPAC Name:
2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
InChI:
InChI=1S/C23H24ClNO3/c1-15-21(26)18-10-11-20(27-2)19(14-25-12-4-3-5-13-25)23(18)28-22(15)16-6-8-17(24)9-7-16/h6-11H,3-5,12-14H2,1-2H3
InChI Key:
XMKKVRWFDSORCV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1CN1CCCCC1)oc(c(c2=O)C)c1ccc(cc1)Cl

Properties

Complexity:
593  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.144g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.899g/mol
Monoisotopic Mass:
397.144g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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