Home Halogens 3-chloro-6-fluoro-1-methoxyisoquinoline

3-chloro-6-fluoro-1-methoxyisoquinoline

CAS No.:
1443759-45-2
Catalog Number:
AG01BTK4
Molecular Formula:
C10H7ClFNO
Molecular Weight:
211.6201
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Product Description
Catalog Number:
AG01BTK4
Chemical Name:
3-chloro-6-fluoro-1-methoxyisoquinoline
CAS Number:
1443759-45-2
Molecular Formula:
C10H7ClFNO
Molecular Weight:
211.6201
MDL Number:
MFCD28672329
IUPAC Name:
3-chloro-6-fluoro-1-methoxyisoquinoline
InChI:
InChI=1S/C10H7ClFNO/c1-14-10-8-3-2-7(12)4-6(8)5-9(11)13-10/h2-5H,1H3
InChI Key:
SMCWFHMWYOVEGT-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)cc2c1ccc(c2)F
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.62g/mol
Monoisotopic Mass:
211.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties