Chloroacetic acid, hexadecyl ester

Compound Structure:

Synonyms:

Chloroacetic acid, 4-hexadecyl ester;1-Propyltridecyl chloroacetate

Compound ID:

NMPC-745

PubChem ID:

Molecular Formula:

C18H35ClO2

Canonical SMILES:

CCCCCCCCCCCCC(CCC)OC(=O)CCl

InChIKey:

UHNOPVKDSAPUTC-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	318.9 g/mol
XLogP3-AA	8.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	318.2325580 g/mol
Monoisotopic Mass	318.2325580 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Thaumatococcus daniellii

Download SDF