Home Halogens 5-chloro-7-fluoroisoquinoline

5-chloro-7-fluoroisoquinoline

CAS No.:
1820716-42-4
Catalog Number:
AG01AN9I
Molecular Formula:
C9H5ClFN
Molecular Weight:
181.5941
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Product Description
Catalog Number:
AG01AN9I
Chemical Name:
5-chloro-7-fluoroisoquinoline
CAS Number:
1820716-42-4
Molecular Formula:
C9H5ClFN
Molecular Weight:
181.5941
MDL Number:
MFCD29034195
IUPAC Name:
5-chloro-7-fluoroisoquinoline
InChI:
InChI=1S/C9H5ClFN/c10-9-4-7(11)3-6-5-12-2-1-8(6)9/h1-5H
InChI Key:
YQCZMOLZFQYURU-UHFFFAOYSA-N
SMILES:
Fc1cc2cnccc2c(c1)Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.594g/mol
Monoisotopic Mass:
181.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties