Basic information
- Standard SMILES
CC(C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
SYAIBOZYDSNSJG-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO4
- Average molar mass
- 243.64 g/mol
Names & identifiers
- Preferred name
- Isopropyl 4-chloro-3-nitrobenzoate
- IUPAC
- propan-2-yl 4-chloro-3-nitrobenzoate
Names & synonyms
isopropyl 4-chloro-3-nitrobenzoatepropan-2-yl 4-chloro-3-nitrobenzoate22928-62-7iso-propyl 4-chloro-3-nitrobenzoateSCHEMBL1761873SYAIBOZYDSNSJG-UHFFFAOYSA-Ni-propyl 4-chloro-3-nitrobenzoatemethylethyl 4-chloro-3-nitrobenzoateSTK018877AKOS000491932ST035608DB-308146
Show more names
AN-329/41435122SR-01000263177SR-01000263177-1
Database identifiers
- PubChem CID
- 693119
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Related reactions
11 records
Compound notes
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