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834884-09-2 | 2-Quinolinecarboxylic acid, 3,7-difluoro-
CAS No: 834884-09-2 Catalog No: AG004VRJ MDL No:
Product Description
Catalog Number:
AG004VRJ
Chemical Name:
2-Quinolinecarboxylic acid, 3,7-difluoro-
CAS Number:
834884-09-2
Molecular Formula:
C10H5F2NO2
Molecular Weight:
209.1490
IUPAC Name:
3,7-difluoroquinoline-2-carboxylic acid
InChI:
InChI=1S/C10H5F2NO2/c11-6-2-1-5-3-7(12)9(10(14)15)13-8(5)4-6/h1-4H,(H,14,15)
InChI Key:
VQKKDUAFRXHNJT-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)nc(c(c2)F)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.152g/mol
Monoisotopic Mass:
209.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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