2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid
Basic information
- CAS
77694-30-5- Standard SMILES
CC1(C)CC(NC(=O)c2ccccc2Cl)C(=O)O1- InChIKey
ZDSBOBNPOABMNK-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO3
- Average molar mass
- 267.71 g/mol
- Monoisotopic mass
- 267.066221
Names & identifiers
- Preferred name
- 2-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acid
- IUPAC
- 2-chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide
- English name
- o-Chloro-N-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)benzamide
- Molecular weight
- 0
Names & synonyms
77694-30-5DTXSID809988952-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzene-1-carboximidic acidRefChem:1062826DTXCID901425876BRN 5547934o-Chloro-N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)benzamideBENZAMIDE, o-CHLORO-N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-o-Chloro-N-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)benzamide
Database identifiers
- CAS
77694-30-5- PubChem CID
- 53718
- DTXSID
DTXSID80998895- Nikkaji
- J149.071K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
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Related reactions
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Compound notes
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