Home Halogens Ethyl 7-bromoisoquinoline-3-carboxylate

Ethyl 7-bromoisoquinoline-3-carboxylate

CAS No.:
660830-62-6
Catalog Number:
AG00FFD7
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
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Product Description
Catalog Number:
AG00FFD7
Chemical Name:
Ethyl 7-bromoisoquinoline-3-carboxylate
CAS Number:
660830-62-6
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD13195308
IUPAC Name:
ethyl 7-bromoisoquinoline-3-carboxylate
InChI:
InChI=1S/C12H10BrNO2/c1-2-16-12(15)11-6-8-3-4-10(13)5-9(8)7-14-11/h3-7H,2H2,1H3
InChI Key:
AHCUGHMZPQHISH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc2c(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:
3.3  
Properties