Basic information
- CAS
306936-16-3- Standard SMILES
Cc1c(C(=O)O)cc(C(C)(C)C)n1-c1ccccc1- InChIKey
NHLBUGVWPXSFTL-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid
- IUPAC
- 5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid
- English name
- 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid
- Molecular formula
- C16H19NO2
- Molecular weight
- 257.33
Names & synonyms
306936-16-35-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acidMFCD015672195-(1,1-Dimethylethyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acidMaybridge3_006698Oprea1_673558DTXSID80370879HMS1450A10CCG-254755IDI1_0180855-tert-butyl-2-methyl-1-phenyl-pyrrole-3-carboxylic acid
Show more names
1H-Pyrrole-3-carboxylic acid, 5-(1,1-dimethylethyl)-2-methyl-1-phenyl-
5-tert-Butyl-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid
Database identifiers
- CAS
306936-16-3- PubChem CID
- 2735682
- DTXSID
DTXSID80370879
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
Chemistry & industry
Suppliers1 total
Ryan Scientific, Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…