2-[3-[(E)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

HCID 5335359

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Basic information

CAS: 5613-34-3
Standard SMILES: O=C(O)COc1cccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1
InChIKey: CDUOANTYYMNVDX-AWQFTUOYSA-N
Molecular formula: C18H15ClN6O4
Average molar mass: 414.8 g/mol
Monoisotopic mass: 414.0843307

Names & identifiers

Preferred name: 2-[3-[(E)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
IUPAC: 2-[3-[(E)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Names & synonyms

2-[3-[(E)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid{3-[(E)-(2-{[5-(2-chlorophenyl)-2H-tetrazol-2-yl]acetyl}hydrazinylidene)methyl]phenoxy}acetic acidSTK374612DTXSID90416535AKOS005447342SR-01000214813SR-01000214813-1

Database identifiers

CAS: 5613-34-3
PubChem CID: 5335359
DTXSID: DTXSID90416535

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 132 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 595

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