2-chloro-4H-furo(3,2-b)pyrrole-5-carboxylic acid
Basic information
- CAS
332099-29-3- Standard SMILES
O=C(O)c1cc2oc(Cl)cc2[nH]1- InChIKey
AFEBFEJAYWJLIR-UHFFFAOYSA-N- Molecular formula
- C7H4ClNO3
- Average molar mass
- 185.56 g/mol
- Monoisotopic mass
- 184.9879707
Names & identifiers
- Preferred name
- 2-chloro-4H-furo(3,2-b)pyrrole-5-carboxylic acid
- IUPAC
- 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Names & synonyms
2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid332099-29-32-chloro-4H-furo(3,2-b)pyrrole-5-carboxylic acidRefChem:469110865-953-4CHEMBL444199SCHEMBL1244036AFEBFEJAYWJLIR-UHFFFAOYSA-NBDBM50260769MFCD19687979EBC-610839DB-355653
Show more names
EN300-67468922-chloro-4H-furo[3,2-b]pyrrole-5-carboxylicacid
Database identifiers
- CAS
332099-29-3- PubChem CID
- 22556501
- ChEMBL
CHEMBL444199- EC Number
- 865-953-4
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
1 records
Compound notes
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