4-Azidophenacyl iodoacetate
Basic information
- CAS
65116-98-5- Standard SMILES
[N-]=[N+]=Nc1ccc(C(=O)COC(=O)CI)cc1- InChIKey
KFOBGUYMRXWXFU-UHFFFAOYSA-N- Molecular formula
- C10H8IN3O3
- Average molar mass
- 345.09 g/mol
- Monoisotopic mass
- 344.96104
Overview
photolabile reagent for enzyme active sites; structure
Names & identifiers
- Preferred name
- 4-Azidophenacyl iodoacetate
- IUPAC
- [2-(4-azidophenyl)-2-oxoethyl] 2-iodoacetate
- English name
- 4-azidophenacyl iodoacetate
- Molecular weight
- 0
Names & synonyms
4-Azidophenacyl iodoacetate65116-98-5p-Azidophenacyl iodoacetateDTXSID90215424Acetic acid, iodo-, 2-(4-azidophenyl)-2-oxoethyl esterRefChem:97935DTXCID901379152-(4-Azidophenyl)-2-oxoethyl iodoacetate
Database identifiers
- CAS
65116-98-5- PubChem CID
- 196422
- DTXSID
DTXSID90215424
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
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Related reactions
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Compound notes
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