4-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropylisoxazole

HCID 59264875

Basic information

Standard SMILES
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CCl
InChIKey
JMDLBQMKBBJSKK-UHFFFAOYSA-N
Molecular formula
C13H12Cl3NO
Average molar mass
304.6 g/mol

Names & identifiers

Preferred name
4-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropylisoxazole
IUPAC
4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole

Names & synonyms

700835-81-04-(chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropylisoxazoleMFCD22420079C13H12Cl3NOSCHEMBL1179026JMDLBQMKBBJSKK-UHFFFAOYSA-NAC6650AKOS037630819SY233115DB-1230834-(chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropyl-isoxazole4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazole

Database identifiers

PubChem CID
59264875

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
26 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18

Related reactions

39 records

Compound notes

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