Home Halogens 3-chloro-8-methoxyisoquinoline

3-chloro-8-methoxyisoquinoline

CAS No.:
129959-08-6
Catalog Number:
AG01BTMI
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
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Product Description
Catalog Number:
AG01BTMI
Chemical Name:
3-chloro-8-methoxyisoquinoline
CAS Number:
129959-08-6
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
MDL Number:
MFCD28669142
IUPAC Name:
3-chloro-8-methoxyisoquinoline
InChI:
InChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-5-10(11)12-6-8(7)9/h2-6H,1H3
InChI Key:
PWTGEQXHFZGVEV-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cnc(c2)Cl
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