Structure

7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid

CAS
898791-31-6
Catalog Number
ACM898791316
Category
Other Products
Molecular Weight
289.15
Molecular Formula
C13H14Cl2O3

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Specification

Synonyms
7-(2,5-DICHLOROPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(2,5-dichlorophenyl)-7-oxoheptanoic acid
SMILES
C1=CC(=C(C=C1Cl)C(=O)CCCCCC(=O)O)Cl
InChI Key
XBLNBSIMEZCQAP-UHFFFAOYSA-N
Boiling Point
438.6ºC at 760 mmHg
Flash Point
219.1ºC
Density
1.302g/cm³
Exact Mass
288.03200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?

The molecular formula is C13H14Cl2O3.

What are the synonyms for 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?

Synonyms include 7-(2,5-DICHLOROPHENYL)-7-OXOHEPTANOIC ACID, 898791-31-6, MFCD02260938, DTXSID40645419, AKOS016022842, and more.

When was this compound created and last modified?

It was created on 2008-02-29 and last modified on 2023-12-30.

What is the molecular weight of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?

The molecular weight is 289.15 g/mol.

What is the IUPAC Name of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?

The IUPAC Name is 7-(2,5-dichlorophenyl)-7-oxoheptanoic acid.

What is the InChIKey of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?

The InChIKey is XBLNBSIMEZCQAP-UHFFFAOYSA-N.

How many hydrogen bond donor count does this compound have?

It has 1 hydrogen bond donor count.

What is the exact mass of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?

The exact mass is 288.0319997 g/mol.

How many rotatable bond count does this compound have?

It has 7 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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