Carbanilic acid, 3,4-dichloro-N-nitroso-, methyl ester
Basic information
- CAS
100836-84-8- Standard SMILES
COC(=O)N(N=O)c1ccc(Cl)c(Cl)c1- InChIKey
VXHDLAIYYCWDKZ-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2N2O3
- Average molar mass
- 249.05 g/mol
- Monoisotopic mass
- 247.9755474
Names & identifiers
- Preferred name
- Carbanilic acid, 3,4-dichloro-N-nitroso-, methyl ester
- IUPAC
- methyl N-(3,4-dichlorophenyl)-N-nitrosocarbamate
- English name
- Methyl 3,4-dichloro-N-nitrosocarbanilate
- Molecular formula
- C8H6Cl2N2O3
- Molecular weight
- 249.05
Names & synonyms
100836-84-8CARBANILIC ACID, 3,4-DICHLORO-N-NITROSO-, METHYL ESTERNitrososwepMethyl 3,4-dichloro-N-nitrosocarbanilate3,4-Dichloro-N-nitrosocarbanilic acid methyl esterDTXSID50143537Methyl (3,4-dichlorophenyl)(nitroso)carbamatemethyl N-(3,4-dichlorophenyl)-N-nitrosocarbamateCarbamic acid, (3,4-dichlorophenyl)nitroso-, methyl ester (9CI)
Database identifiers
- CAS
100836-84-8- PubChem CID
- 58084
- DTXSID
DTXSID50143537- Nikkaji
- J69.521A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 136 °C · 136°C (rough estimate)
- Density
- 1.6884 · 1.6884 (rough estimate)
- refractive index
- 1.614 · 1.6140 (estimate)
- pka
- -3.15 · -3.15±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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