cis-(1R,2S)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
Basic information
- CAS
2253956-43-1- Standard SMILES
O=C(O)[C@@H]1C[C@H]1Cc1ccc(Br)cc1- InChIKey
DHBXXMOQZGFJMQ-PSASIEDQSA-N- Molecular formula
- C11H11BrO2
- Average molar mass
- 255.11 g/mol
- Monoisotopic mass
- 253.99424
Names & identifiers
- Preferred name
- cis-(1R,2S)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
- IUPAC
- cis-(1R,2S)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
Names & synonyms
2253956-43-1rac-(1R,2S)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acidrel-(1R,2S)-2-(4-Bromobenzyl)cyclopropane-1-carboxylic acid
Database identifiers
- CAS
2253956-43-1- PubChem CID
- 99939596
- EC Number
- 171-672-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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