Basic information
- CAS
111884-43-6- Standard SMILES
CS(=O)(=O)O.NC(N)=Nc1ccc(C(=O)Oc2cc(Cl)ccc2Cl)cc1- InChIKey
OATVYKDDXIDZPQ-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2N3O5S
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 419.0109471
Names & identifiers
- Preferred name
- Benzoic acid, 4-((aminoiminomethyl)amino)-, 2,5-dichlorophenyl ester, monomethanesulfonate
- IUPAC
- (2,5-dichlorophenyl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
Names & synonyms
Benzoic acid, 4-((aminoiminomethyl)amino)-, 2,5-dichlorophenyl ester, monomethanesulfonate2,5-Dichlorophenyl 4-((aminoiminomethyl)amino)benzoate monomethanesulfonate111884-43-6DTXSID60149762RefChem:327342DTXCID2072253Methanesulfonic acid--2,5-dichlorophenyl 4-[(diaminomethylidene)amino]benzoate (1/1)
Database identifiers
- CAS
111884-43-6- PubChem CID
- 3086751
- DTXSID
DTXSID60149762
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…