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1160262-91-8 | 6,8-Dimethyl-2-(4-propoxyphenyl)quinoline-4-carbonyl chloride
CAS No: 1160262-91-8 Catalog No: AG00HDK1 MDL No:MFCD03421262
Product Description
Catalog Number:
AG00HDK1
Chemical Name:
6,8-Dimethyl-2-(4-propoxyphenyl)quinoline-4-carbonyl chloride
CAS Number:
1160262-91-8
Molecular Formula:
C21H20ClNO2
Molecular Weight:
353.8420
MDL Number:
MFCD03421262
IUPAC Name:
6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO2/c1-4-9-25-16-7-5-15(6-8-16)19-12-18(21(22)24)17-11-13(2)10-14(3)20(17)23-19/h5-8,10-12H,4,9H2,1-3H3
InChI Key:
TWFNFTLVXVVATF-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.118g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.846g/mol
Monoisotopic Mass:
353.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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