Home Halogens 1-chloro-7-methoxyisoquinoline

1-chloro-7-methoxyisoquinoline

CAS No.:
53533-54-3
Catalog Number:
AG00DDBN
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
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Product Description
Catalog Number:
AG00DDBN
Chemical Name:
1-chloro-7-methoxyisoquinoline
CAS Number:
53533-54-3
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
MDL Number:
MFCD13189938
IUPAC Name:
1-chloro-7-methoxyisoquinoline
InChI:
InChI=1S/C10H8ClNO/c1-13-8-3-2-7-4-5-12-10(11)9(7)6-8/h2-6H,1H3
InChI Key:
SSBMOLGNIQJGPF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(Cl)ncc2
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.63g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties