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Clocoumarol
[CAS# 35838-63-2]

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Identification
Name Clocoumarol
Synonyms 3-[1-[4-(2-Chloroethyl)Phenyl]Butyl]-2-Hydroxy-Chromen-4-One; 3-[1-[4-(2-Chloroethyl)Phenyl]Butyl]-2-Hydroxy-4-Chromenone; 3-[1-[4-(2-Chloroethyl)Phenyl]Butyl]-2-Hydroxy-Chromone
Molecular Structure CAS#: 35838-63-2, Clocoumarol
Molecular Formula C21H21ClO3
Molecular Weight 356.85
CAS Registry Number 35838-63-2
EINECS 252-748-4
SMILES C3=C(C(CCC)C2=C(OC1=CC=CC=C1C2=O)O)C=CC(=C3)CCCl
InChI 1S/C21H21ClO3/c1-2-5-16(15-10-8-14(9-11-15)12-13-22)19-20(23)17-6-3-4-7-18(17)25-21(19)24/h3-4,6-11,16,24H,2,5,12-13H2,1H3
InChIKey BEZSPXMSEYYYBB-UHFFFAOYSA-N
Properties
Density 1.262g/cm3 (Cal.)
Boiling point 500.398°C at 760 mmHg (Cal.)
Flash point 256.431°C (Cal.)
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