1-cyclopentyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
Basic information
- CAS
846562-87-6- Standard SMILES
O=C(O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1- InChIKey
ATPXZVQETNPJTK-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 1-cyclopentyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
- IUPAC
- 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid
Names & synonyms
1-cyclopentyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid846562-87-6RefChem:431786102-859-81-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acidSCHEMBL41990832WIB56287AKOS000210477CS-0253054EN300-62374G21571SR-01000333074
Show more names
SR-01000333074-1Z3272236121-cyclopentyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylicacid
Database identifiers
- CAS
846562-87-6- PubChem CID
- 3232118
- EC Number
- 102-859-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
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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