CAS
928148-47-4 Purity
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928148-47-4 Purity
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3-Chloro-1-(4-octylphenyl)-1-propanone
CAS
928165-59-7
Catalog Number
ACM928165597
Category
Other Products
Molecular Weight
280.832800 [g/mol]
Molecular Formula
C17H25ClO
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Specification
Synonyms
3-Chloro-1-(4-octylphenyl)propan-1-one, 928165-59-7, CTK8C1484, ANW-66765, AKOS016007611, 3-Chloro-1-(4-octylphenyl)-preopanone, AK-97080, KB-235431, X6212
IUPAC Name
3-chloro-1-(4-octylphenyl)propan-1-one
Canonical SMILES
CCCCCCCCC1=CC=C(C=C1)C(=O)CCCl
InChI Key
RRIVKRLKROHVNQ-UHFFFAOYSA-N
Exact Mass
280.15900
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C17H25ClO.
What is the molecular weight of the compound?
The molecular weight of the compound is 280.8 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-chloro-1-(4-octylphenyl)propan-1-one.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C17H25ClO/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18/h9-12H,2-8,13-14H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is RRIVKRLKROHVNQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCCCCCCCC1=CC=C(C=C1)C(=O)CCCl.
What is the CAS number of the compound?
The CAS number of the compound is 928165-59-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 6.2.
How many rotatable bonds are there in the compound?
There are 10 rotatable bonds in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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