Home Halogens 1,3-dichloro-6-fluoro-7-methoxyisoquinoline

1,3-dichloro-6-fluoro-7-methoxyisoquinoline

CAS No.:
2089258-03-5
Catalog Number:
AG01BTIF
Molecular Formula:
C10H6Cl2FNO
Molecular Weight:
246.0651
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Product Description
Catalog Number:
AG01BTIF
Chemical Name:
1,3-dichloro-6-fluoro-7-methoxyisoquinoline
CAS Number:
2089258-03-5
Molecular Formula:
C10H6Cl2FNO
Molecular Weight:
246.0651
MDL Number:
MFCD30539834
IUPAC Name:
1,3-dichloro-6-fluoro-7-methoxyisoquinoline
InChI:
InChI=1S/C10H6Cl2FNO/c1-15-8-4-6-5(2-7(8)13)3-9(11)14-10(6)12/h2-4H,1H3
InChI Key:
IEQQEFVARMURER-UHFFFAOYSA-N
SMILES:
COc1cc2c(Cl)nc(cc2cc1F)Cl
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.981g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.062g/mol
Monoisotopic Mass:
244.981g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties