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22991-05-5

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22991-05-5 Structure

22991-05-5 Structure
IdentificationBack Directory
[Name]

4-(3-chlorophenyl)butanoicacid
[CAS]

22991-05-5
[Synonyms]

3-Chlorophenylbutanoic acid
3-Chlorobenzenebutanoic acid
4-(3-chlorophenyl)butanoicacid
Benzenebutanoic acid, 3-chloro-
4-(3-Chloro-phenyl)-butyric acid
[Molecular Formula]

C10H11ClO2
[MDL Number]

MFCD06810458
[MOL File]

22991-05-5.mol
[Molecular Weight]

198.65
Chemical PropertiesBack Directory
[Melting point ]

55-56 °C
[Boiling point ]

323.0±17.0 °C(Predicted)
[density ]

1.227±0.06 g/cm3(Predicted)
[pka]

4.73±0.10(Predicted)
[InChI]

InChI=1S/C10H11ClO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,5,7H,2,4,6H2,(H,12,13)
[InChIKey]

UKSCUPNTXJMPCO-UHFFFAOYSA-N
[SMILES]

C1(CCCC(O)=O)=CC=CC(Cl)=C1
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