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941294-25-3 | 1,3-Dichloro-7-fluoroisoquinoline
CAS No: 941294-25-3 Catalog No: AG003DJE MDL No:MFCD09763685
Product Description
Catalog Number:
AG003DJE
Chemical Name:
1,3-Dichloro-7-fluoroisoquinoline
CAS Number:
941294-25-3
Molecular Formula:
C9H4Cl2FN
Molecular Weight:
216.0392
MDL Number:
MFCD09763685
IUPAC Name:
1,3-dichloro-7-fluoroisoquinoline
InChI:
InChI=1S/C9H4Cl2FN/c10-8-3-5-1-2-6(12)4-7(5)9(11)13-8/h1-4H
InChI Key:
RPCBWABYLPCEQX-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(Cl)nc(c2)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.036g/mol
Monoisotopic Mass:
214.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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