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Home > Bromides > 1823300-65-7
1823300-65-7 | 8-Quinolinecarboxylic acid, 5-bromo-, ethyl ester
CAS No: 1823300-65-7 Catalog No: AG0023NN MDL No:MFCD21608012
Product Description
Catalog Number:
AG0023NN
Chemical Name:
8-Quinolinecarboxylic acid, 5-bromo-, ethyl ester
CAS Number:
1823300-65-7
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD21608012
IUPAC Name:
ethyl 5-bromoquinoline-8-carboxylate
InChI:
InChI=1S/C12H10BrNO2/c1-2-16-12(15)9-5-6-10(13)8-4-3-7-14-11(8)9/h3-7H,2H2,1H3
InChI Key:
PMFDSDZQJDIYAJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c2c1nccc2)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:
3.1
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