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132118-50-4 | Quinoline, 2-chloro-3-ethyl-7-methoxy-
CAS No: 132118-50-4 Catalog No: AG00108R MDL No:
Product Description
Catalog Number:
AG00108R
Chemical Name:
Quinoline, 2-chloro-3-ethyl-7-methoxy-
CAS Number:
132118-50-4
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
IUPAC Name:
2-chloro-3-ethyl-7-methoxyquinoline
InChI:
InChI=1S/C12H12ClNO/c1-3-8-6-9-4-5-10(15-2)7-11(9)14-12(8)13/h4-7H,3H2,1-2H3
InChI Key:
CENAQQALKXXNEE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(c(c2)CC)Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.684g/mol
Monoisotopic Mass:
221.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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