[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
Basic information
- CAS
1001518-92-8- Standard SMILES
O=C(O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1- InChIKey
SQFHLEXCEIEPJC-UHFFFAOYSA-N- Molecular formula
- C9H8BrF3N2O2
- Average molar mass
- 313.07 g/mol
- Monoisotopic mass
- 311.97212
Names & identifiers
- Preferred name
- [4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
- IUPAC
- 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
- English name
- (4-BROMO-5-CYCLOPROPYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-ACETIC ACID
- Molecular formula
- C9H8BrF3N2O2
- Molecular weight
- 313.07
Names & synonyms
1001518-92-8[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid2-(4-Bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acidMFCD03419741(4-BROMO-5-CYCLOPROPYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-ACETIC ACID[4-BROMO-5-CYCLOPROPYL-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]ACETIC ACIDDTXSID101162725BQB51892SBB020517STK312351
Show more names
AKOS B007304-1-YL)-ACETIC ACIDART-CHEM-BB B0073041H-Pyrazole-1-acetic acid, 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-(4-BROMO-5-CYCLOPROPYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)ACETIC ACID
AKOS000308358FS-5714ST102447CS-0262736EN300-83607F028089F2169-0801Z1245633662
Database identifiers
- CAS
1001518-92-8- PubChem CID
- 7018506
- DTXSID
DTXSID101162725
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
- HS Code
- 2933199090 · 2933199090
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
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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