Home Halogens Isoquinoline, 1,3-dichloro-6,7-dimethoxy-

Isoquinoline, 1,3-dichloro-6,7-dimethoxy-

CAS No.:
24623-42-5
Catalog Number:
AG002OTL
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
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Product Description
Catalog Number:
AG002OTL
Chemical Name:
Isoquinoline, 1,3-dichloro-6,7-dimethoxy-
CAS Number:
24623-42-5
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
MDL Number:
MFCD14704915
IUPAC Name:
1,3-dichloro-6,7-dimethoxyisoquinoline
InChI:
InChI=1S/C11H9Cl2NO2/c1-15-8-3-6-4-10(12)14-11(13)7(6)5-9(8)16-2/h3-5H,1-2H3
InChI Key:
PDJTYACMQQZNHN-UHFFFAOYSA-N
SMILES:
COc1cc2cc(Cl)nc(c2cc1OC)Cl
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.001g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.098g/mol
Monoisotopic Mass:
257.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties