CAS
926935-33-3 Purity
96%
926935-33-3 Purity
96%
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Butyl 4-(4-chloro-2-methylphenoxy)butyrate
CAS
92699-90-6
Catalog Number
ACM92699906
Category
Other Products
Molecular Weight
284.778440 [g/mol]
Molecular Formula
C15H21ClO3
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Specification
Synonyms
EINECS 296-419-3, CID3022019, Butyl 4-(4-chloro-2-methylphenoxy)butyrate, 92699-90-6
IUPAC Name
butyl 4-(4-chloro-2-methylphenoxy)butanoate
SMILES
CCCCOC(=O)CCCOC1=C(C=C(C=C1)Cl)C
InChI Key
KOXLMFVJUQQBIY-UHFFFAOYSA-N
Boiling Point
383.6ºC at 760mmHg
Flash Point
141ºC
Density
1.092g/cm³
EC Number
296-419-3
Exact Mass
284.11800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Butyl 4-(4-chloro-2-methylphenoxy)butyrate?
The molecular formula is C15H21ClO3.
What is the molecular weight of Butyl 4-(4-chloro-2-methylphenoxy)butyrate?
The molecular weight is 284.78 g/mol.
What is the IUPAC Name of Butyl 4-(4-chloro-2-methylphenoxy)butyrate?
The IUPAC Name is butyl 4-(4-chloro-2-methylphenoxy)butanoate.
What is the InChI for Butyl 4-(4-chloro-2-methylphenoxy)butyrate?
The InChI is InChI=1S/C15H21ClO3/c1-3-4-9-19-15(17)6-5-10-18-14-8-7-13(16)11-12(14)2/h7-8,11H,3-6,9-10H2,1-2H3.
What is the Canonical SMILES of Butyl 4-(4-chloro-2-methylphenoxy)butyrate?
The Canonical SMILES is CCCCOC(=O)CCCOC1=C(C=C(C=C1)Cl)C.
What is the CAS number for Butyl 4-(4-chloro-2-methylphenoxy)butyrate?
The CAS number is 92699-90-6.
How many Hydrogen Bond Acceptor Count does Butyl 4-(4-chloro-2-methylphenoxy)butyrate have?
It has 3 Hydrogen Bond Acceptor Count.
What is the XLogP3 value of Butyl 4-(4-chloro-2-methylphenoxy)butyrate?
The XLogP3 value is 5.1.
What is the Topological Polar Surface Area of Butyl 4-(4-chloro-2-methylphenoxy)butyrate?
The Topological Polar Surface Area is 35.5 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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