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834884-11-6 | 2-Quinolinecarboxylic acid, 8-bromo-3-fluoro-
CAS No: 834884-11-6 Catalog No: AG0050NX MDL No:
Product Description
Catalog Number:
AG0050NX
Chemical Name:
2-Quinolinecarboxylic acid, 8-bromo-3-fluoro-
CAS Number:
834884-11-6
Molecular Formula:
C10H5BrFNO2
Molecular Weight:
270.0546
IUPAC Name:
8-bromo-3-fluoroquinoline-2-carboxylic acid
InChI:
InChI=1S/C10H5BrFNO2/c11-6-3-1-2-5-4-7(12)9(10(14)15)13-8(5)6/h1-4H,(H,14,15)
InChI Key:
WPTLONOUZZSGJA-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2c(Br)cccc2cc1F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.949g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.057g/mol
Monoisotopic Mass:
268.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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