Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate
Basic information
- CAS
51282-69-0- Standard SMILES
COC(=O)c1cc(Oc2ccc(F)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
ROCVQRONLLDHFQ-UHFFFAOYSA-N- Molecular formula
- C14H9ClFNO5
- Average molar mass
- 325.67 g/mol
- Monoisotopic mass
- 325.0153282
Overview
MC-6063 is a nitrobenzoic acid.
Names & identifiers
- Preferred name
- Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate
- IUPAC
- methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate
Names & synonyms
methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoateMC-606351282-69-0C11069AC1L22TXMC 6063SureCN10786433CHEBI:6615SCHEMBL10786433DTXSID70965576Benzoic acid, 5-(2-chloro-4-fluorophenoxy)-2-nitro-, methyl esterQ27107271
Show more names
methyl 5-(2-chloro-4-fluoro-phenoxy)-2-nitro-benzoate
Database identifiers
- CAS
51282-69-0- PubChem CID
- 39975
- DTXSID
DTXSID70965576- ChEBI
CHEBI:6615- Nikkaji
- J1.619.720C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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