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42065-10-1 | 2-Chloro-5,6,8-trimethoxyquinoline
CAS No: 42065-10-1 Catalog No: AG0039DW MDL No:MFCD30293171
Product Description
Catalog Number:
AG0039DW
Chemical Name:
2-Chloro-5,6,8-trimethoxyquinoline
CAS Number:
42065-10-1
Molecular Formula:
C12H12ClNO3
Molecular Weight:
253.6816
MDL Number:
MFCD30293171
IUPAC Name:
2-chloro-5,6,8-trimethoxyquinoline
InChI:
InChI=1S/C12H12ClNO3/c1-15-8-6-9(16-2)12(17-3)7-4-5-10(13)14-11(7)8/h4-6H,1-3H3
InChI Key:
GSHDPJKVWVTPDI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c2c1nc(Cl)cc2)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.682g/mol
Monoisotopic Mass:
253.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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