Basic information
- CAS
51937-92-9- Standard SMILES
COC(=O)c1cc(Oc2c(F)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
VDTUHFXWUUZATR-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2FNO5
- Average molar mass
- 360.1 g/mol
- Monoisotopic mass
- 358.9763559
Overview
MC-7181 is a nitrobenzoic acid.
Names & identifiers
- Preferred name
- Methyl 5-(2,4-dichloro-6-fluorophenoxy)-2-nitrobenzoate
- IUPAC
- methyl 5-(2,4-dichloro-6-fluorophenoxy)-2-nitrobenzoate
Names & synonyms
methyl 5-(2,4-dichloro-6-fluorophenoxy)-2-nitrobenzoateMC-718151937-92-9C11070AC1L2386MC 7181SureCN10790704CHEBI:6616SCHEMBL10790704DTXSID60966259Benzoic acid, 5-(2,4-dichloro-6-fluorophenoxy)-2-nitro-, methyl esterQ27107272
Show more names
methyl 5-(2,4-dichloro-6-fluoro-phenoxy)-2-nitro-benzoate
Database identifiers
- CAS
51937-92-9- PubChem CID
- 40183
- DTXSID
DTXSID60966259- ChEBI
CHEBI:6616
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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