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131110-43-5 | Cinnoline, 4-chloro-3-(2-chloroethyl)-8-methyl-
CAS No: 131110-43-5 Catalog No: AG000VJN MDL No:
Product Description
Catalog Number:
AG000VJN
Chemical Name:
Cinnoline, 4-chloro-3-(2-chloroethyl)-8-methyl-
CAS Number:
131110-43-5
Molecular Formula:
C11H10Cl2N2
Molecular Weight:
241.1165
IUPAC Name:
4-chloro-3-(2-chloroethyl)-8-methylcinnoline
InChI:
InChI=1S/C11H10Cl2N2/c1-7-3-2-4-8-10(13)9(5-6-12)14-15-11(7)8/h2-4H,5-6H2,1H3
InChI Key:
BFGQAQMCQRADHR-UHFFFAOYSA-N
SMILES:
ClCCc1nnc2c(c1Cl)cccc2C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.115g/mol
Monoisotopic Mass:
240.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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