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182052-67-1 | Quinoline, 2-chloro-3-(chloromethyl)-6,7-dimethyl-
CAS No: 182052-67-1 Catalog No: AG0023BC MDL No:
Product Description
Catalog Number:
AG0023BC
Chemical Name:
Quinoline, 2-chloro-3-(chloromethyl)-6,7-dimethyl-
CAS Number:
182052-67-1
Molecular Formula:
C12H11Cl2N
Molecular Weight:
240.1284
IUPAC Name:
2-chloro-3-(chloromethyl)-6,7-dimethylquinoline
InChI:
InChI=1S/C12H11Cl2N/c1-7-3-9-5-10(6-13)12(14)15-11(9)4-8(7)2/h3-5H,6H2,1-2H3
InChI Key:
CCUOWAKNYKHISD-UHFFFAOYSA-N
SMILES:
ClCc1cc2cc(C)c(cc2nc1Cl)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.127g/mol
Monoisotopic Mass:
239.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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