Home Other Building Blocks ETHYL 6-CHLOROISOQUINOLINE-3-CARBOXYLATE

ETHYL 6-CHLOROISOQUINOLINE-3-CARBOXYLATE

CAS No.:
1823552-72-2
Catalog Number:
AG01DX88
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
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Product Description
Catalog Number:
AG01DX88
Chemical Name:
ETHYL 6-CHLOROISOQUINOLINE-3-CARBOXYLATE
CAS Number:
1823552-72-2
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD28050422
IUPAC Name:
ethyl 6-chloroisoquinoline-3-carboxylate
InChI:
InChI=1S/C12H10ClNO2/c1-2-16-12(15)11-6-9-5-10(13)4-3-8(9)7-14-11/h3-7H,2H2,1H3
InChI Key:
FOXGWNMRTBTPOK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cc(Cl)ccc2cn1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties