Benzoic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
Basic information
- CAS
64505-76-6- Standard SMILES
O=C(O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1- InChIKey
NSYKJANZYWVKGS-UHFFFAOYSA-N- Molecular formula
- C17H10ClNO4
- Average molar mass
- 327.7 g/mol
- Monoisotopic mass
- 327.0298355
Names & identifiers
- Preferred name
- Benzoic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
- IUPAC
- 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid
Names & synonyms
64505-76-64-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acidBenzoic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-MLS000806949SMR0004147444-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-ylamino)-benzoic acid4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acidBenzoic acid, 4-[(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]-cid_470952CHEMBL1578997REGID_for_CID_470952
Show more names
BDBM457244-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]benzoic acidDTXSID30214774HMS2747C23STK5525884-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzoic acidAKOS001660481NCGC00246490-01
Database identifiers
- CAS
64505-76-6- PubChem CID
- 470952
- DTXSID
DTXSID30214774- ChEMBL
CHEMBL1578997
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…