Home Carboxys 3-Cinnolinecarboxylic acid, 4-amino-6-fluoro-

3-Cinnolinecarboxylic acid, 4-amino-6-fluoro-

CAS No.:
161373-43-9
Catalog Number:
AG001SFE
Molecular Formula:
C9H6FN3O2
Molecular Weight:
207.1612
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Product Description
Catalog Number:
AG001SFE
Chemical Name:
3-Cinnolinecarboxylic acid, 4-amino-6-fluoro-
CAS Number:
161373-43-9
Molecular Formula:
C9H6FN3O2
Molecular Weight:
207.1612
MDL Number:
MFCD24395657
IUPAC Name:
4-amino-6-fluorocinnoline-3-carboxylic acid
InChI:
InChI=1S/C9H6FN3O2/c10-4-1-2-6-5(3-4)7(11)8(9(14)15)13-12-6/h1-3H,(H2,11,12)(H,14,15)
InChI Key:
QBUGYSNCFMFXMD-UHFFFAOYSA-N
SMILES:
Nc1c(nnc2c1cc(F)cc2)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.164g/mol
Monoisotopic Mass:
207.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties