Basic information
- CAS
102583-94-8- Standard SMILES
COC(=O)c1ccccc1NC(=O)NCCBr- InChIKey
AKEJLRWSUWCOGM-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2O3
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 300.01095
Names & identifiers
- Preferred name
- Anthranilic acid, N-(N'-(2-bromoethyl)carbamoyl)-, methyl ester
- IUPAC
- methyl 2-(2-bromoethylcarbamoylamino)benzoate
Names & synonyms
ANTHRANILIC ACID, N-(N'-(2-BROMOETHYL)CARBAMOYL)-, METHYL ESTER1-(2-Bromoethyl)-3-(o-carbomethoxyphenyl)urea102583-94-8N-(N'-(2-Bromoethyl)carbamoyl)anthranilic acid methyl esterDTXSID20145301RefChem:319837DTXCID7067792NSC160075methyl 2-{[(2-bromoethyl)carbamoyl]amino}benzoateNSC-160075
Database identifiers
- CAS
102583-94-8- PubChem CID
- 59568
- DTXSID
DTXSID20145301
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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