Basic information
- CAS
19719-00-7- Standard SMILES
CC(=O)Nc1c(I)c(NC=O)c(I)c(C(=O)O)c1I- InChIKey
OJXHBFPYZMAUNW-UHFFFAOYSA-N- Molecular formula
- C10H7I3N2O4
- Average molar mass
- 599.89 g/mol
- Monoisotopic mass
- 599.754
Names & identifiers
- Preferred name
- Benzoic acid, 3-acetamido-5-formamido-2,4,6-triiodo-
- IUPAC
- 3-acetamido-5-formamido-2,4,6-triiodobenzoic acid
- English name
- 3-(Acetylamino)-5-(formylamino)-2,4,6-triiodobenzoic acid
- Molecular weight
- 0
Names & synonyms
3-Acetamido-5-formamido-2,4,6-triiodobenzoic acid19719-00-7BRN 3000961BENZOIC ACID, 3-ACETAMIDO-5-FORMAMIDO-2,4,6-TRIIODO-DTXSID00173384RefChem:327180DTXCID60958754-14-00-01307 (Beilstein Handbook Reference)3-(Acetylamino)-5-(formylamino)-2,4,6-triiodobenzoic acid
Database identifiers
- CAS
19719-00-7- PubChem CID
- 29754
- DTXSID
DTXSID00173384- Nikkaji
- J41.225B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…