7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxylic acid

HCID 3074584

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Basic information

CAS: 159831-79-5
Standard SMILES: O=C(O)c1nnc2cc(Cl)c(F)cc2c1N=Cc1ccc(O)cc1
InChIKey: RLVLMBJONBLFCR-UHFFFAOYSA-N
Molecular formula: C16H9ClFN3O3
Average molar mass: 345.71 g/mol
Monoisotopic mass: 345.031647

Names & identifiers

Preferred name: 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxylic acid
IUPAC: 7-chloro-6-fluoro-4-[(4-hydroxyphenyl)methylideneamino]cinnoline-3-carboxylic acid

Names & synonyms

159831-79-57-Chloro-6-fluoro-4-((4-hydroxybenzylidene)amino)cinnoline-3-carboxylic acid7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxylic acid3-Cinnolinecarboxylic acid, 7-chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-DTXSID709361807-CHLORO-6-FLUORO-4-{[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]AMINO}CINNOLINE-3-CARBOXYLIC ACID

Database identifiers

CAS: 159831-79-5
PubChem CID: 3074584
DTXSID: DTXSID70936180

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 95.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 487

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