3-Chloro-3-phenyl-2-propenal

HCID 38389
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Basic information

CAS
40133-53-7
Standard SMILES
O=CC=C(Cl)c1ccccc1
InChIKey
MJLAQCMQXBYZQC-UHFFFAOYSA-N
Molecular formula
C9H7ClO
Average molar mass
166.6 g/mol
Monoisotopic mass
166.0185425

Names & identifiers

Preferred name
3-Chloro-3-phenyl-2-propenal
IUPAC
3-chloro-3-phenylprop-2-enal

Names & synonyms

3-Chloro-3-phenyl-2-propenalDTXSID601309780RefChem:499844DTXCID701739649beta-Chlorocinnamaldehyde3-chloro-3-phenylprop-2-enalSCHEMBL560304SCHEMBL26094777MJLAQCMQXBYZQC-UHFFFAOYSA-NDA-19202

Database identifiers

CAS
40133-53-7
PubChem CID
38389
DTXSID
DTXSID601309780

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Related reactions

3 records
New reaction record

Compound notes

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