Basic information
- CAS
2137473-26-6- Standard SMILES
O=C(NC(Cn1cc(I)cn1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
BCMFSUWNHFPKGR-UHFFFAOYSA-N- Molecular formula
- C21H18IN3O4
- Average molar mass
- 503.3 g/mol
- Monoisotopic mass
- 503.0342
Names & identifiers
- Preferred name
- 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-iodo-1H-pyrazol-1-yl)propanoic acid
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-iodopyrazol-1-yl)propanoic acid
Names & synonyms
2137473-26-62-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-iodo-1H-pyrazol-1-yl)propanoic acid2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-iodo-1H-pyrazol-1-yl)propanoic acidRefChem:446626998-721-7EN300-1141284
Database identifiers
- CAS
2137473-26-6- PubChem CID
- 165490490
- EC Number
- 998-721-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 584
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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