Methyl 1-butyl-4-iodo-1H-pyrazole-3-carboxylate
Basic information
- CAS
1354705-69-3- Standard SMILES
CCCCn1cc(I)c(C(=O)OC)n1- InChIKey
KPARSMMZKOZGAK-UHFFFAOYSA-N- Molecular formula
- C9H13IN2O2
- Average molar mass
- 308.12 g/mol
- Monoisotopic mass
- 308.00218
Names & identifiers
- Preferred name
- Methyl 1-butyl-4-iodo-1H-pyrazole-3-carboxylate
- IUPAC
- methyl 1-butyl-4-iodopyrazole-3-carboxylate
Names & synonyms
1354705-69-3Methyl 1-butyl-4-iodo-1H-pyrazole-3-carboxylateMethyl1-butyl-4-iodo-1H-pyrazole-3-carboxylatemethyl 1-butyl-4-iodopyrazole-3-carboxylateDTXSID901186709MFCD24539631SBB074154AKOS015920953CS-0337647methyl 1-butyl-4-iodo-pyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 1-butyl-4-iodo-, methyl ester
Database identifiers
- CAS
1354705-69-3- PubChem CID
- 60136765
- DTXSID
DTXSID901186709
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…