Phthalic acid-2-chloropropylethylester

Phthalic acid-2-chloropropylethylester
Compound Structure:
Synonyms: Phthalic acid, 2-chloropropyl ethyl ester
Compound ID: NMPC-1405
PubChem ID:

91720534
Molecular Formula: C13H15ClO4
Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC(C)Cl
InChIKey: YFHRWQJTTKJKPE-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

270.71 g/mol

XLogP3

3.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

7

Exact Mass

270.0658866 g/mol

Monoisotopic Mass

270.0658866 g/mol

Topological Polar Surface Area

52.6Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

293

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
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