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1150271-19-4 | Isoquinoline, 1,3-dichloro-6-ethyl-
CAS No: 1150271-19-4 Catalog No: AG000FP6 MDL No:MFCD12026042
Product Description
Catalog Number:
AG000FP6
Chemical Name:
Isoquinoline, 1,3-dichloro-6-ethyl-
CAS Number:
1150271-19-4
Molecular Formula:
C11H9Cl2N
Molecular Weight:
226.1019
MDL Number:
MFCD12026042
IUPAC Name:
1,3-dichloro-6-ethylisoquinoline
InChI:
InChI=1S/C11H9Cl2N/c1-2-7-3-4-9-8(5-7)6-10(12)14-11(9)13/h3-6H,2H2,1H3
InChI Key:
ULIDIEBBNZJOLG-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)cc(nc2Cl)Cl
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.1g/mol
Monoisotopic Mass:
225.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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