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86073-61-2

86073-61-2 | 4'-CHLORO-8-((DIETHYLAMINO)METHYL)-7-METHOXY-3-METHYLFLAVONE

CAS No: 86073-61-2 Catalog No: AG004U32 MDL No:

Product Description

Catalog Number:
AG004U32
Chemical Name:
4'-CHLORO-8-((DIETHYLAMINO)METHYL)-7-METHOXY-3-METHYLFLAVONE
CAS Number:
86073-61-2
Molecular Formula:
C22H24ClNO3
Molecular Weight:
385.8839
IUPAC Name:
2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one
InChI:
InChI=1S/C22H24ClNO3/c1-5-24(6-2)13-18-19(26-4)12-11-17-20(25)14(3)21(27-22(17)18)15-7-9-16(23)10-8-15/h7-12H,5-6,13H2,1-4H3
InChI Key:
LWLNYRLTTRMKJI-UHFFFAOYSA-N
SMILES:
CCN(Cc1c(OC)ccc2c1oc(c1ccc(cc1)Cl)c(c2=O)C)CC

Properties

Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.144g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.888g/mol
Monoisotopic Mass:
385.144g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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