Home Carboxys 5-Chloroquinoline-3-carboxylic acid ethyl ester

5-Chloroquinoline-3-carboxylic acid ethyl ester

CAS No.:
352521-48-3
Catalog Number:
AG00CMGF
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
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Product Description
Catalog Number:
AG00CMGF
Chemical Name:
5-Chloroquinoline-3-carboxylic acid ethyl ester
CAS Number:
352521-48-3
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD16657961
IUPAC Name:
ethyl 5-chloroquinoline-3-carboxylate
InChI:
InChI=1S/C12H10ClNO2/c1-2-16-12(15)8-6-9-10(13)4-3-5-11(9)14-7-8/h3-7H,2H2,1H3
InChI Key:
GPGUJGOPBUCQMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1)c(Cl)ccc2
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  
Properties