(2-(2,4-Dichlorophenyl)-2-hydroxyethyl)carbamic Acid tert-Butyl Ester - CAS 939757-30-9
Catalog: |
BB067995 |
Product Name: |
(2-(2,4-Dichlorophenyl)-2-hydroxyethyl)carbamic Acid tert-Butyl Ester |
CAS: |
939757-30-9 |
Synonyms: |
tert-butyl N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]carbamate; N-Boc-2-(2,4-dichlorophenyl)-2-hydroxyethanamine; (2-(2,4-Dichlorophenyl)-2-hydroxyethyl)carbamic Acid tert-Butyl Ester; [2-(2,4-dichlorophenyl)-2-hydroxyethyl]carbamic acid tert-butyl ester; Tert-butyl (2-(2,4-dichlorophenyl)-2-hydroxyethyl)carbamate; tert-Butyl [2-(2,4-dichlorophenyl)-2-hydroxyethyl]carbamate |
IUPAC Name: | tert-butyl N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]carbamate |
Description: | (2-(2,4-Dichlorophenyl)-2-hydroxyethyl)carbamic Acid tert-Butyl Ester is an intermediate in the synthesis of Miconazole (M342500) related compounds. |
Molecular Weight: | 306.18 |
Molecular Formula: | C13H17Cl2NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC(C1=C(C=C(C=C1)Cl)Cl)O |
InChI: | InChI=1S/C13H17Cl2NO3/c1-13(2,3)19-12(18)16-7-11(17)9-5-4-8(14)6-10(9)15/h4-6,11,17H,7H2,1-3H3,(H,16,18) |
InChI Key: | LDWRFWMEDWHTMA-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Colourless Oil |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.0585488 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.0585488 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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