Methyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
312704-26-0- Standard SMILES
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2- InChIKey
ADCPRELOHXPRLZ-UHFFFAOYSA-N- Molecular formula
- C18H17Cl2NO4S
- Average molar mass
- 414.3 g/mol
- Monoisotopic mass
- 413.0255346
Names & identifiers
- Preferred name
- Methyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- methyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C18H17Cl2NO4S
- Molecular weight
- 414.3
Names & synonyms
methyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate312704-26-0methyl 2-[2-(2,4-dichlorophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatemethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSTK408246AKOS001598464AG-690/11151065SR-01000412593SR-01000412593-1methyl 2-(2-(2,4-dichlorophenoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-, methyl ester
Database identifiers
- CAS
312704-26-0- PubChem CID
- 984883
- EC Number
- 164-777-9
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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