2-Chloro-5-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid
Basic information
- CAS
31000-05-2- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1.CCS(=O)(=O)O- InChIKey
RIXILQVSBFOEEH-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2FN5O6S2
- Average molar mass
- 584.5 g/mol
- Monoisotopic mass
- 583.0529094
Names & identifiers
- Preferred name
- 2-Chloro-5-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid
- IUPAC
- 2-chloro-5-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid
Names & synonyms
31000-05-2NSC131023DTXSID10299483NSC-131023Ethanesulfonic acid--2-chloro-5-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl}benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
31000-05-2- PubChem CID
- 279754
- DTXSID
DTXSID10299483
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 909
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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