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159831-72-8 | 3-Cinnolinecarboxamide, 4-amino-7-chloro-6-fluoro-
CAS No: 159831-72-8 Catalog No: AG001RFQ MDL No:
Product Description
Catalog Number:
AG001RFQ
Chemical Name:
3-Cinnolinecarboxamide, 4-amino-7-chloro-6-fluoro-
CAS Number:
159831-72-8
Molecular Formula:
C9H6ClFN4O
Molecular Weight:
240.6215
IUPAC Name:
4-amino-7-chloro-6-fluorocinnoline-3-carboxamide
InChI:
InChI=1S/C9H6ClFN4O/c10-4-2-6-3(1-5(4)11)7(12)8(9(13)16)15-14-6/h1-2H,(H2,12,14)(H2,13,16)
InChI Key:
ISONHGCOBHHRMJ-UHFFFAOYSA-N
SMILES:
NC(=O)c1nnc2c(c1N)cc(c(c2)Cl)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.622g/mol
Monoisotopic Mass:
240.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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