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893724-64-6 | 2-Chloro-3-(2-chloroethyl)-5,7-dimethylquinoline
CAS No: 893724-64-6 Catalog No: AG003XKA MDL No:
Product Description
Catalog Number:
AG003XKA
Chemical Name:
2-Chloro-3-(2-chloroethyl)-5,7-dimethylquinoline
CAS Number:
893724-64-6
Molecular Formula:
C13H13Cl2N
Molecular Weight:
254.1550
IUPAC Name:
2-chloro-3-(2-chloroethyl)-5,7-dimethylquinoline
InChI:
InChI=1S/C13H13Cl2N/c1-8-5-9(2)11-7-10(3-4-14)13(15)16-12(11)6-8/h5-7H,3-4H2,1-2H3
InChI Key:
JHMUFZJILWKYGH-UHFFFAOYSA-N
SMILES:
ClCCc1cc2c(C)cc(cc2nc1Cl)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.154g/mol
Monoisotopic Mass:
253.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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