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Structure

Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate

CAS
94160-36-8
Catalog Number
ACM94160368
Category
Other Products
Molecular Weight
284.778440 [g/mol]
Molecular Formula
C15H21ClO3

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Specification

Synonyms
EINECS 303-320-1, CID3023902, Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate, 94160-36-8
IUPAC Name
2-methylpropyl 4-(4-chloro-2-methylphenoxy)butanoate
Canonical SMILES
CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCC(C)C
InChI Key
YWYRKYNYHRGXSR-UHFFFAOYSA-N
Boiling Point
378.2ºC at 760mmHg
Flash Point
138.1ºC
Density
1.09g/cm³
EC Number
303-320-1
Exact Mass
284.11800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate?

The molecular formula is C15H21ClO3.

When was Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate created according to PubChem?

It was created on 2005-08-08.

What is the IUPAC name of Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate?

The IUPAC name is 2-methylpropyl 4-(4-chloro-2-methylphenoxy)butanoate.

What is the InChIKey for Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate?

The InChIKey is YWYRKYNYHRGXSR-UHFFFAOYSA-N.

What is the Canonical SMILES of Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate?

The Canonical SMILES is CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCC(C)C.

What is the molecular weight of Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate?

The molecular weight is 284.78 g/mol.

How many Hydrogen Bond Acceptor Count does Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate have?

It has 3 Hydrogen Bond Acceptor Count.

What is the Topological Polar Surface Area of Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate?

The Topological Polar Surface Area is 35.5 Ų.

Is the Compound Is Canonicalized for Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate?

Yes, the Compound Is Canonicalized.

How many Rotatable Bond Count does Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate have?

It has 8 Rotatable Bond Count.

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