4-[bis(2-chloroethyl)amino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[bis(2-chloroethyl)amino]-2-fluoranyl-benzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]-2-fluoro-benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-2-fluorobenzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-2-fluorobenzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]-2-fluoro-benzoic acid Formula: C11H12Cl2FNO2 MolecularWeight: 280.122883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(CCCl)CCCl)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N(CCCl)CCCl)F)C(=O)O

InChI

InChI=1S/C11H12Cl2FNO2/c12-3-5-15(6-4-13)8-1-2-9(11(16)17)10(14)7-8/h1-2,7H,3-6H2,(H,16,17)