Structure

4-Chlorocinnamaldehyde

CAS
49678-02-6
Catalog Number
ACM49678026
Category
Alkenes
Molecular Weight
166.6

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Specification

Synonyms
4-Chloro-trans-cinnamaldehyde
IUPAC Name
(E)-3-(4-Chlorophenyl)prop-2-enal
Canonical SMILES
C1=CC(=CC=C1C=CC=O)Cl
InChI
InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChI Key
HONRSHHPFBMLBT-OWOJBTEDSA-N
Boiling Point
115 °C
Melting Point
57-63 °C
Density
1.192±0.06 g/cm³
Exact Mass
166.0185425
Hazard Statements
H226-H315-H411
Isomeric SMILES
C1=CC(=CC=C1/C=C/C=O)Cl
Monoisotopic Mass
166.0185425
Physical State
Crystalline
Storage Conditions
Inert atmosphere,under -20 °C
Symbol
GHS02
Topological Polar Surface Area
17.1 Ų
What is the molecular formula of 4-Chlorocinnamaldehyde?

The molecular formula of 4-Chlorocinnamaldehyde is C9H7ClO.

When was 4-Chlorocinnamaldehyde first created?

4-Chlorocinnamaldehyde was first created on September 11, 2005.

What is the molecular weight of 4-Chlorocinnamaldehyde?

The molecular weight of 4-Chlorocinnamaldehyde is 166.60 g/mol.

What is the IUPAC name of 4-Chlorocinnamaldehyde?

The IUPAC name of 4-Chlorocinnamaldehyde is (E)-3-(4-chlorophenyl)prop-2-enal.

What is the InChI key of 4-Chlorocinnamaldehyde?

The InChI key of 4-Chlorocinnamaldehyde is HONRSHHPFBMLBT-OWOJBTEDSA-N.

How many hydrogen bond acceptors are there in 4-Chlorocinnamaldehyde?

There is 1 hydrogen bond acceptor in 4-Chlorocinnamaldehyde.

What is the exact mass of 4-Chlorocinnamaldehyde?

The exact mass of 4-Chlorocinnamaldehyde is 166.0185425 g/mol.

Is 4-Chlorocinnamaldehyde Canonicalized?

Yes, 4-Chlorocinnamaldehyde is Canonicalized.

What is the topological polar surface area of 4-Chlorocinnamaldehyde?

The topological polar surface area of 4-Chlorocinnamaldehyde is 17.1Ų.

How many rotatable bond counts are there in 4-Chlorocinnamaldehyde?

There are 2 rotatable bond counts in 4-Chlorocinnamaldehyde.

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