Home Halogens Methyl 1-chloro-4-hydroxyisoquinoline-3-carboxylate

Methyl 1-chloro-4-hydroxyisoquinoline-3-carboxylate

CAS No.:
223388-20-3
Catalog Number:
AG003RK7
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
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Product Description
Catalog Number:
AG003RK7
Chemical Name:
Methyl 1-chloro-4-hydroxyisoquinoline-3-carboxylate
CAS Number:
223388-20-3
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
MDL Number:
MFCD11656060
IUPAC Name:
methyl 1-chloro-4-hydroxyisoquinoline-3-carboxylate
InChI:
InChI=1S/C11H8ClNO3/c1-16-11(15)8-9(14)6-4-2-3-5-7(6)10(12)13-8/h2-5,14H,1H3
InChI Key:
JCLXQWPJRSUMFT-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)c2c(c1O)cccc2
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties