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N-(2,3-Dichlorophenyl)propanamide

HCID 835348
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Basic information

CAS
26320-47-8
Standard SMILES
CCC(=O)Nc1cccc(Cl)c1Cl
InChIKey
HYUVDTLWUUSQLJ-UHFFFAOYSA-N
Molecular formula
C9H9Cl2NO
Average molar mass
218.08 g/mol
Monoisotopic mass
217.0061193

Names & identifiers

Preferred name
N-(2,3-Dichlorophenyl)propanamide
IUPAC
N-(2,3-dichlorophenyl)propanamide
English name
N-(2,3-dichlorophenyl)propanamide
Molecular formula
C9H9Cl2NO
Molecular weight
218.08

Names & synonyms

N-(2,3-dichlorophenyl)propanamide26320-47-8DTXSID70356849RefChem:360074DTXCID80307908N-(2,3-Dichlorophenyl)propionamidePropanamide, N-(2,3-dichlorophenyl)-SCHEMBL28833417STK127902AKOS003253271CS-0328196ST50688148
Show more names
AN-652/10705032

Database identifiers

CAS
26320-47-8
PubChem CID
835348
DTXSID
DTXSID70356849
Nikkaji
J373.674A

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
186

Physicochemical properties

Melting point
106 °C · 106 °C(Solv: ethanol (64-17-5))
Boiling point
361.4 · 361.4±32.0 °C(Predicted)
Density
1.338 · 1.338±0.06 g/cm3(Predicted)
pka
13.52 · 13.52±0.70(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

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Compound notes

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