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1260807-99-5 | 2-Quinolinecarboxylic acid, 3-amino-7-bromo-, ethyl ester
CAS No: 1260807-99-5 Catalog No: AG000RD4 MDL No:MFCD13195320
Product Description
Catalog Number:
AG000RD4
Chemical Name:
2-Quinolinecarboxylic acid, 3-amino-7-bromo-, ethyl ester
CAS Number:
1260807-99-5
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
MDL Number:
MFCD13195320
IUPAC Name:
ethyl 3-amino-7-bromoquinoline-2-carboxylate
InChI:
InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-9(14)5-7-3-4-8(13)6-10(7)15-11/h3-6H,2,14H2,1H3
InChI Key:
UHKVUBKBFDPSDM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2cc(Br)ccc2cc1N
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:
3.3
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