3-Methylpentyl Chloroformate - CAS 1215109-09-3
Catalog: |
BB059528 |
Product Name: |
3-Methylpentyl Chloroformate |
CAS: |
1215109-09-3 |
Synonyms: |
Carbonochloridic Acid 3-Methylpentyl Ester |
IUPAC Name: | 3-methylpentyl carbonochloridate |
Description: | 3-Methylpentyl Chloroformate is an isomer of 2-Methylpentyl Chloroformate (M324735) which is an intermediate used to prepare azidoformates in a high yield. |
Molecular Weight: | 164.63 |
Molecular Formula: | C7H13ClO2 |
Canonical SMILES: | CCC(C)CCOC(=O)Cl |
InChI: | InChI=1S/C7H13ClO2/c1-3-6(2)4-5-10-7(8)9/h6H,3-5H2,1-2H3 |
InChI Key: | ZSEUJMFAOMCZEP-UHFFFAOYSA-N |
Solubility: | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Inert atmosphere |
References: | Wu, P., et al. J. Chinese Chem. Soc., 47, 271 (2000). |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0604073 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0604073 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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