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Home Other Building Blocks Methyl 1-Bromo-4-Hydroxy-7-Phenoxyisoquinoline-3-Carboxylate

Methyl 1-Bromo-4-Hydroxy-7-Phenoxyisoquinoline-3-Carboxylate

CAS No.:
1455091-21-0
Catalog Number:
AG01DFY4
Molecular Formula:
C17H12BrNO4
Molecular Weight:
374.1855
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Product Description
Catalog Number:
AG01DFY4
Chemical Name:
Methyl 1-Bromo-4-Hydroxy-7-Phenoxyisoquinoline-3-Carboxylate
CAS Number:
1455091-21-0
Molecular Formula:
C17H12BrNO4
Molecular Weight:
374.1855
MDL Number:
MFCD29075437
IUPAC Name:
methyl 1-bromo-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
InChI:
InChI=1S/C17H12BrNO4/c1-22-17(21)14-15(20)12-8-7-11(9-13(12)16(18)19-14)23-10-5-3-2-4-6-10/h2-9,20H,1H3
InChI Key:
YVFJAFZUPPWHJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Br)c2c(c1O)ccc(c2)Oc1ccccc1
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.995g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
374.19g/mol
Monoisotopic Mass:
372.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties