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353501-34-5 | 6-Bromo-2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-quinoline-4-carboxylic acid
CAS No: 353501-34-5 Catalog No: AG01F4O1 MDL No:
Product Description
Catalog Number:
AG01F4O1
Chemical Name:
6-Bromo-2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-quinoline-4-carboxylic acid
CAS Number:
353501-34-5
Molecular Formula:
C18H12BrNO4
Molecular Weight:
386.1962
IUPAC Name:
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C18H12BrNO4/c19-11-2-3-14-12(8-11)13(18(21)22)9-15(20-14)10-1-4-16-17(7-10)24-6-5-23-16/h1-4,7-9H,5-6H2,(H,21,22)
InChI Key:
NFXGNGAPYVIFHA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cc(n2)c1ccc2c(c1)OCCO2)C(=O)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.995g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.201g/mol
Monoisotopic Mass:
384.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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