CAS
972-18-9 Purity
96%
972-18-9 Purity
96%
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4-Chlorobenzoic acid pentylesther
CAS
97222-04-3
Catalog Number
ACM97222043
Category
Other Products
Molecular Weight
226.69900
Molecular Formula
C12H15ClO
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Specification
Synonyms
n-Pentyl p-chlorobenzoate; Pentyl 4-chlorobenzoate; Pentyl p-chlorobenzoate; 4-CHLOROBENZOIC ACID PENTYLESTHER;
IUPAC Name
Benzoic acid, 4-chloro-, pentyl ester
Boiling Point
132-134 °C (17 mmHg)
Density
1.104±0.06 g/cm³(20 °C , 760mmHg)
Exact Mass
226.07600
What is the molecular formula of 4-Chlorobenzoic acid pentylesther according to the reference?
The molecular formula of 4-Chlorobenzoic acid pentylesther is C12H15ClO2.
When was 4-Chlorobenzoic acid pentylesther first created according to the reference?
4-Chlorobenzoic acid pentylesther was first created on March 27, 2005.
What is the computed IUPAC name of 4-Chlorobenzoic acid pentylesther?
The computed IUPAC name of 4-Chlorobenzoic acid pentylesther is pentyl 4-chlorobenzoate.
What is the InChIKey of 4-Chlorobenzoic acid pentylesther according to the reference?
The InChIKey of 4-Chlorobenzoic acid pentylesther is APVFEMBQOQUREJ-UHFFFAOYSA-N.
What is the xLogP3 value of 4-Chlorobenzoic acid pentylesther?
The xLogP3 value of 4-Chlorobenzoic acid pentylesther is 4.8.
How many hydrogen bond donor counts are present in 4-Chlorobenzoic acid pentylesther according to the reference?
There are 0 hydrogen bond donor counts present in 4-Chlorobenzoic acid pentylesther.
What is the exact mass of 4-Chlorobenzoic acid pentylesther?
The exact mass of 4-Chlorobenzoic acid pentylesther is 226.0760574 g/mol.
How many rotatable bond counts are present in 4-Chlorobenzoic acid pentylesther according to the reference?
There are 6 rotatable bond counts present in 4-Chlorobenzoic acid pentylesther.
What is the topological polar surface area of 4-Chlorobenzoic acid pentylesther?
The topological polar surface area of 4-Chlorobenzoic acid pentylesther is 26.3 Å^2.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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