Home Halogens methyl 1-chloro-4-methoxyisoquinoline-3-carboxylate

methyl 1-chloro-4-methoxyisoquinoline-3-carboxylate

CAS No.:
170621-96-2
Catalog Number:
AG019WUL
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
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Product Description
Catalog Number:
AG019WUL
Chemical Name:
methyl 1-chloro-4-methoxyisoquinoline-3-carboxylate
CAS Number:
170621-96-2
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD13195864
IUPAC Name:
methyl 1-chloro-4-methoxyisoquinoline-3-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-16-10-7-5-3-4-6-8(7)11(13)14-9(10)12(15)17-2/h3-6H,1-2H3
InChI Key:
RIANOGWCACLOPK-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)c2c(c1OC)cccc2
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties