2H-Tetrazole, 5-(chloromethyl)-2-(4-nitrophenyl)-

HCID 548509

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Basic information

CAS: 65251-34-5
Standard SMILES: O=[N+]([O-])c1ccc(-n2nnc(CCl)n2)cc1
InChIKey: YZTWLJDJICHRFJ-UHFFFAOYSA-N
Molecular formula: C8H6ClN5O2
Average molar mass: 239.62 g/mol
Monoisotopic mass: 239.0210021

Names & identifiers

Preferred name: 2H-Tetrazole, 5-(chloromethyl)-2-(4-nitrophenyl)-
IUPAC: 5-(chloromethyl)-2-(4-nitrophenyl)tetrazole
English name: 5-(Chloromethyl)-2-(4-nitrophenyl)-2H-tetrazole
Molecular formula: C8H6ClN5O2
Molecular weight: 239.62

Names & synonyms

2H-Tetrazole, 5-(chloromethyl)-2-(4-nitrophenyl)-DTXSID6033833665251-34-5RefChem:269217DTXCID702894215-(Chloromethyl)-2-(4-nitrophenyl)-2H-tetrazoleYZTWLJDJICHRFJ-UHFFFAOYSA-N5-(Chloromethyl)-2-(4-nitrophenyl)-2H-tetraazole #

Database identifiers

CAS: 65251-34-5
PubChem CID: 548509
DTXSID: DTXSID60338336
Nikkaji: J127.269A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 89.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 253

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