Basic information
- CAS
774586-50-4- Standard SMILES
NNC(=O)c1sc2cccc(F)c2c1Cl- InChIKey
WMCIZHGLWWYFDD-UHFFFAOYSA-N- Molecular formula
- C9H6ClFN2OS
- Average molar mass
- 244.67 g/mol
- Monoisotopic mass
- 243.9873398
Names & identifiers
- Preferred name
- 3-Chloro-4-fluoro-1-benzothiophene-2-carbohydrazide
- IUPAC
- 3-chloro-4-fluoro-1-benzothiophene-2-carbohydrazide
- English name
- 3-CHLORO-4-FLUORO-1-BENZOTHIOPHENE-2-CARBOHYDRAZIDE
- Molecular formula
- C9H6ClFN2OS
- Molecular weight
- 244.67
Names & synonyms
3-chloro-4-fluoro-1-benzothiophene-2-carbohydrazide774586-50-43-chloro-4-fluorobenzo[b]thiophene-2-carbohydrazideMFCD03423202ALBB-002695STK463116AKOS003348081VS-06326CS-0317187ST50857238H222703-chloro-4-fluoro-benzothiophene-2-carbohydrazide
Show more names
Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro-, hydrazide
Database identifiers
- CAS
774586-50-4- PubChem CID
- 17255585
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Density
- 1.561 · 1.561±0.06 g/cm3(Predicted)
- pka
- 11.84 · 11.84±0.30(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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