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1215605-17-6 | 3-Quinolinecarboxylic acid, 4-amino-6-bromo-, ethyl ester
CAS No: 1215605-17-6 Catalog No: AG00159B MDL No:MFCD16987434
Product Description
Catalog Number:
AG00159B
Chemical Name:
3-Quinolinecarboxylic acid, 4-amino-6-bromo-, ethyl ester
CAS Number:
1215605-17-6
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
MDL Number:
MFCD16987434
IUPAC Name:
ethyl 4-amino-6-bromoquinoline-3-carboxylate
InChI:
InChI=1S/C12H11BrN2O2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3,(H2,14,15)
InChI Key:
VNGPBELPQWPPTP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1N)cc(cc2)Br
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
294g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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