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1020576-70-8 | 1-Isoquinolinecarboxylic acid, 6-bromo-, ethyl ester
CAS No: 1020576-70-8 Catalog No: AG0006GJ MDL No:MFCD18257309
Product Description
Catalog Number:
AG0006GJ
Chemical Name:
1-Isoquinolinecarboxylic acid, 6-bromo-, ethyl ester
CAS Number:
1020576-70-8
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD18257309
IUPAC Name:
ethyl 6-bromoisoquinoline-1-carboxylate
InChI:
InChI=1S/C12H10BrNO2/c1-2-16-12(15)11-10-4-3-9(13)7-8(10)5-6-14-11/h3-7H,2H2,1H3
InChI Key:
ZYTJPPHSTFPCLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccc2c1ccc(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
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