Chloromethyl 2-chlorodecanoate

Chloromethyl 2-chlorodecanoate
Compound Structure:
Synonyms: Chloromethyl 2-chlorodecanoate;2-Chlorodecanoic acid, chloromethyl ester;80418-79-7;DTXSID30337533
Compound ID: NMPC-746
PubChem ID:

543259
Molecular Formula: C11H20Cl2O2
Canonical SMILES: CCCCCCCCC(C(=O)OCCl)Cl
InChIKey: ZBWKSSOXFUXWPK-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

255.18 g/mol

XLogP3-AA

5.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

10

Exact Mass

254.0840353 g/mol

Monoisotopic Mass

254.0840353 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

163

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: Strychnos innocua
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