Home Halogens methyl 6-bromoisoquinoline-4-carboxylate

methyl 6-bromoisoquinoline-4-carboxylate

CAS No.:
1256794-48-5
Catalog Number:
AG01DYLZ
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
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Product Description
Catalog Number:
AG01DYLZ
Chemical Name:
methyl 6-bromoisoquinoline-4-carboxylate
CAS Number:
1256794-48-5
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
MDL Number:
MFCD18260309
IUPAC Name:
methyl 6-bromoisoquinoline-4-carboxylate
InChI:
InChI=1S/C11H8BrNO2/c1-15-11(14)10-6-13-5-7-2-3-8(12)4-9(7)10/h2-6H,1H3
InChI Key:
LQNPZRWYMUESFQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc2c1cc(Br)cc2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.974g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.094g/mol
Monoisotopic Mass:
264.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties