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887922-81-8 | Thieno[2,3-b]quinoline-2-carboxylic acid, 6-bromo-, ethyl ester
CAS No: 887922-81-8 Catalog No: AG004CY9 MDL No:
Product Description
Catalog Number:
AG004CY9
Chemical Name:
Thieno[2,3-b]quinoline-2-carboxylic acid, 6-bromo-, ethyl ester
CAS Number:
887922-81-8
Molecular Formula:
C14H10BrNO2S
Molecular Weight:
336.2037
IUPAC Name:
ethyl 6-bromothieno[2,3-b]quinoline-2-carboxylate
InChI:
InChI=1S/C14H10BrNO2S/c1-2-18-14(17)12-7-9-5-8-6-10(15)3-4-11(8)16-13(9)19-12/h3-7H,2H2,1H3
InChI Key:
RAOQPKRUKGSDSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(s1)nc1c(c2)cc(cc1)Br
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.203g/mol
Monoisotopic Mass:
334.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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