[5-(2-bromanyl-4-chloranyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine

Systemtic Name: [5-(2-bromanyl-4-chloranyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine Openeye Name: [5-(2-bromo-4-chloro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine CAS Name: [5-(2-bromo-4-chlorophenoxy)-1,3-dimethyl-4-pyrazolyl]methanamine IUPAC Name: [5-(2-bromo-4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine Traditional Name: [5-(2-bromo-4-chloro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylamine Formula: C12H13BrClN3O MolecularWeight: 330.60812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN)OC2=C(C=C(C=C2)Cl)Br)C

Isomeric SMILES

CC1=NN(C(=C1CN)OC2=C(C=C(C=C2)Cl)Br)C

InChI

InChI=1S/C12H13BrClN3O/c1-7-9(6-15)12(17(2)16-7)18-11-4-3-8(14)5-10(11)13/h3-5H,6,15H2,1-2H3