Home Halogens Isoquinoline,3-chloro-7-fluoro-

Isoquinoline,3-chloro-7-fluoro-

CAS No.:
82117-26-8
Catalog Number:
AG005AAG
Molecular Formula:
C9H5ClFN
Molecular Weight:
181.5941
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Product Description
Catalog Number:
AG005AAG
Chemical Name:
Isoquinoline,3-chloro-7-fluoro-
CAS Number:
82117-26-8
Molecular Formula:
C9H5ClFN
Molecular Weight:
181.5941
MDL Number:
MFCD11044723
IUPAC Name:
3-chloro-7-fluoroisoquinoline
InChI:
InChI=1S/C9H5ClFN/c10-9-4-6-1-2-8(11)3-7(6)5-12-9/h1-5H
InChI Key:
YGDRWTHVHZAKTA-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)cnc(c2)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:
3.2  
Properties