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2-chloranylethanamine; 4-ethyl-3,5-dimethyl-benzoic acid

2-chloranylethanamine; 4-ethyl-3,5-dimethyl-benzoic acid

Systemtic Name:2-chloranylethanamine; 4-ethyl-3,5-dimethyl-benzoic acid
Openeye Name:2-chloroethanamine; 4-ethyl-3,5-dimethyl-benzoic acid
CAS Name:2-chloroethanamine; 4-ethyl-3,5-dimethylbenzoic acid
IUPAC Name:2-chloroethanamine; 4-ethyl-3,5-dimethylbenzoic acid
Traditional Name:2-chloroethylamine; 4-ethyl-3,5-dimethyl-benzoic acid
Formula: C13H20ClNO2
MolecularWeight: 257.7564
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1C)C(=O)O)C.C(CCl)N


Isomeric SMILES

CCC1=C(C=C(C=C1C)C(=O)O)C.C(CCl)N


InChI

InChI=1S/C11H14O2.C2H6ClN/c1-4-10-7(2)5-9(11(12)13)6-8(10)3;3-1-2-4/h5-6H,4H2,1-3H3,(H,12,13);1-2,4H2


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