N- Propyl- N- [2- (2, 4, 6- trichlorophenoxy) ethyl] - carbamic Acid Methyl Ester - CAS 1424939-65-0
Catalog: |
BB058013 |
Product Name: |
N- Propyl- N- [2- (2, 4, 6- trichlorophenoxy) ethyl] - carbamic Acid Methyl Ester |
CAS: |
1424939-65-0 |
Synonyms: |
methyl N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamate; Methyl N-propyl-N-[2-(2,4,6-trichlorophenoxy)-ethyl]carbamate; methylN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamate |
IUPAC Name: | methyl N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamate |
Description: | N- Propyl- N- [2- (2, 4, 6- trichlorophenoxy) ethyl] - carbamic Acid Methyl Ester is an intermediate used in the synthesis of BTS 44595 (B689350), which is a metabolite of Prochloraz (P755280), an effective fungicide against cereal powdery mildew. |
Molecular Weight: | 340.63 |
Molecular Formula: | C13H16Cl3NO3 |
Canonical SMILES: | CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)OC |
InChI: | InChI=1S/C13H16Cl3NO3/c1-3-4-17(13(18)19-2)5-6-20-12-10(15)7-9(14)8-11(12)16/h7-8H,3-6H2,1-2H3 |
InChI Key: | HFMWQXNBQUMFSZ-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Diethyl Ether; Ethyl Acetate; Methanol |
Appearance: | Clear Oil |
References: | Riviere, J.-L., et al. Pestic. Sci., 15, 317 (1984), Debrauwer, L., et al. J. Agric. Food Chem., 49, 3821 (2001). |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 339.019576 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 339.019576 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 38.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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