5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid
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Basic information
- CAS
1017414-83-3- Standard SMILES
Cn1c(C(=O)O)ccc1-c1ccc(Cl)cc1- InChIKey
SGAKOFWKZBYYON-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2
- Average molar mass
- 235.66 g/mol
Names & identifiers
- Preferred name
- 5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid
- IUPAC
- 5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylic acid
- English name
- 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid
- Molecular formula
- C12H10ClNO2
- Molecular weight
- 235.67
Names & synonyms
1017414-83-35-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylic acidMFCD100064125-(4-Chlorophenyl)-1-methylpyrrole-2-carboxylicAcid1H-Pyrrole-2-carboxylic acid, 5-(4-chlorophenyl)-1-mehtyl-1H-Pyrrole-2-carboxylic acid, 5-(4-chlorophenyl)-1-methyl-STL109943AKOS002676472SB62264AS-50198DA-38619
Show more names
SY031887CS-0198740O11292F6341855-(4-chlorophenyl)-1-methyl-pyrrole-2-carboxylic acid5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylicacid
Database identifiers
- CAS
1017414-83-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 419.4 · 419.4±35.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.36 · 4.36±0.41(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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