Home Halogens Methyl 1-chloroisoquinoline-6-carboxylate

Methyl 1-chloroisoquinoline-6-carboxylate

CAS No.:
1357946-43-0
Catalog Number:
AG009FRR
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
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Product Description
Catalog Number:
AG009FRR
Chemical Name:
Methyl 1-chloroisoquinoline-6-carboxylate
CAS Number:
1357946-43-0
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD21365100
IUPAC Name:
methyl 1-chloroisoquinoline-6-carboxylate
InChI:
InChI=1S/C11H8ClNO2/c1-15-11(14)8-2-3-9-7(6-8)4-5-13-10(9)12/h2-6H,1H3
InChI Key:
PKEQALCNHHWENP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ccnc2Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties