3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate
Basic information
- CAS
161373-48-4- Standard SMILES
Nc1c(C(=O)O)nnc2cc(Cl)c(Cl)cc12- InChIKey
IMBXVSYZRSVZCD-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2N3O2
- Average molar mass
- 258.06 g/mol
- Monoisotopic mass
- 256.9758818
Names & identifiers
- Preferred name
- 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate
- IUPAC
- 4-amino-6,7-dichlorocinnoline-3-carboxylic acid
Names & synonyms
161373-48-43-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate4-Amino-6,7-dichloro-3-cinnolinecarboxylic acid hydrateDTXSID10167133RefChem:278675DTXCID2089624NSC6693124-amino-6,7-dichlorocinnoline-3-carboxylic acidCHEMBL1969977NSC-669312NCI60_0241544-amino-6,7-dichloro-cinnoline-3-carboxylic acid
Show more names
3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-
Database identifiers
- CAS
161373-48-4- PubChem CID
- 461801
- DTXSID
DTXSID10167133- ChEMBL
CHEMBL1969977- Nikkaji
- J625.734H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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