Home Halogens 1,8-Dichloroisoquinoline

1,8-Dichloroisoquinoline

CAS No.:
848841-64-5
Catalog Number:
AG004QEJ
Molecular Formula:
C9H5Cl2N
Molecular Weight:
198.0487
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Product Description
Catalog Number:
AG004QEJ
Chemical Name:
1,8-Dichloroisoquinoline
CAS Number:
848841-64-5
Molecular Formula:
C9H5Cl2N
Molecular Weight:
198.0487
MDL Number:
MFCD15526764
IUPAC Name:
1,8-dichloroisoquinoline
InChI:
InChI=1S/C9H5Cl2N/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H
InChI Key:
SPANHWVVFLSTMH-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1c(Cl)ncc2
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.98g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.046g/mol
Monoisotopic Mass:
196.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties