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Basic information
- Standard SMILES
Clc1ncc(CI)s1- InChIKey
RHWVXAOTBJLWPC-UHFFFAOYSA-N- Molecular formula
- C4H3ClINS
- Average molar mass
- 259.5 g/mol
- Monoisotopic mass
- 258.87195
Names & identifiers
- Preferred name
- 2-Chloro-5-(iodomethyl)thiazole
- IUPAC
- 2-chloro-5-(iodomethyl)-1,3-thiazole
Names & synonyms
2-chloro-5-(iodomethyl)thiazole210576-61-7MFCD259965062-chloro-5-(iodomethyl)-1,3-thiazoleC4H3ClINS2-chloro-5-iodomethyl-thiazoleSCHEMBL2088409RHWVXAOTBJLWPC-UHFFFAOYSA-NAC9205AKOS021459101SY251089
Database identifiers
- PubChem CID
- 9816634
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82
Related reactions
1 records
Compound notes
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