Home Halogens 3-Quinolinecarboxylic acid, 7-bromo-, ethyl ester

3-Quinolinecarboxylic acid, 7-bromo-, ethyl ester

CAS No.:
1226762-74-8
Catalog Number:
AG0017LQ
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
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Product Description
Catalog Number:
AG0017LQ
Chemical Name:
3-Quinolinecarboxylic acid, 7-bromo-, ethyl ester
CAS Number:
1226762-74-8
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD16657753
IUPAC Name:
ethyl 7-bromoquinoline-3-carboxylate
InChI:
InChI=1S/C12H10BrNO2/c1-2-16-12(15)9-5-8-3-4-10(13)6-11(8)14-7-9/h3-7H,2H2,1H3
InChI Key:
NCEAPXMAJIWHHN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1)ccc(c2)Br
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.989g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.121g/mol
Monoisotopic Mass:
278.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties