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Atovaquone Impurity 2
Catalog Number
49708-81-8
CAS
49708-81-8
IUPAC Name
(1r,4r)-4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
Synonyms
Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-; trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid; trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid
Molecular Weight
238.72
Molecular Formula
C13H15ClO2
Product Information
Purity
≥95%
MDL
MFCD06797626
Appearance
White to off-white crystalline powder
Storage
Store at RT
Boiling Point
387.1±42.0°C (Predicted)
Melting Point
235°C
Density
1.225±0.06 g/cm3 (Predicted)
Safety Information
Signal Word
Warning
Precautionary Statement
P261-P305+P351+P338
Hazard Statements
H315-H319-H335
Canonical SMILES
O=C(O)C1CCC(C2=CC=C(Cl)C=C2)CC1
InChI
InChI=1/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)/t9-,11-
InChI Key
NXXDIEYTMQYWJU-HOMQSWHANA-N
