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159383-57-0 | Quinoline, 2-chloro-3-(3-chloropropyl)-6-methoxy-
CAS No: 159383-57-0 Catalog No: AG001QNB MDL No:
Product Description
Catalog Number:
AG001QNB
Chemical Name:
Quinoline, 2-chloro-3-(3-chloropropyl)-6-methoxy-
CAS Number:
159383-57-0
Molecular Formula:
C13H13Cl2NO
Molecular Weight:
270.1544
IUPAC Name:
2-chloro-3-(3-chloropropyl)-6-methoxyquinoline
InChI:
InChI=1S/C13H13Cl2NO/c1-17-11-4-5-12-10(8-11)7-9(3-2-6-14)13(15)16-12/h4-5,7-8H,2-3,6H2,1H3
InChI Key:
YTYKURZXNARJCD-UHFFFAOYSA-N
SMILES:
COc1cc2cc(CCCCl)c(nc2cc1)Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.153g/mol
Monoisotopic Mass:
269.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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