7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate
Basic information
- CAS
4790-92-5- Standard SMILES
CNC(=O)Oc1ccc(Cl)c2c1OC(C)(C)C2- InChIKey
ZUIXATGNVPEOAZ-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO3
- Average molar mass
- 255.7 g/mol
- Monoisotopic mass
- 255.066221
Names & identifiers
- Preferred name
- 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate
- IUPAC
- (4-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
- English name
- Methylcarbamic acid 4-chloro-2,3-dihydro-2,2-dimethylbenzofuran-7-yl ester
- Molecular formula
- C12H14ClNO3
- Molecular weight
- 255.7
Names & synonyms
Niagara 105594790-92-5FMC 10559NIA-10559ENT 27,382NSC 190975AI3-273824-Chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamateDTXSID101973347-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamateCARBAMIC ACID, METHYL-, 4-CHLORO-2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL ESTER7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate (9CI)
Show more names
FMC-10559ENT-27382NSC-190975Niagara-10559Fenoxaprop-ethyl Impurity 2 (Fenoxaprop-P)7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)
RefChem:310316DTXCID20119825SCHEMBL115086464-Chloro-2,2-dimethyl-2,3-dihydro-1-benzo[b]furan-7-yl methylcarbamateMethylcarbamic acid 4-chloro-2,3-dihydro-2,2-dimethylbenzofuran-7-yl ester4-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate
Database identifiers
- CAS
4790-92-5- PubChem CID
- 20925
- DTXSID
DTXSID10197334- Nikkaji
- J13.705G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 151.5 · 151.5-152 °C
- Boiling point
- 347 · 347.0±42.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 11.76 · 11.76±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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