2-bromo-N'-tert-butyl-N-(4-chlorophenyl)prop-2-enimidamide

HCID 334773

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Basic information

CAS: 85802-12-6
Standard SMILES: C=C(Br)C(=NC(C)(C)C)Nc1ccc(Cl)cc1
InChIKey: XAUDLWOWRSVUKW-UHFFFAOYSA-N
Molecular formula: C13H16BrClN2
Average molar mass: 315.63 g/mol
Monoisotopic mass: 314.01854

Names & identifiers

Preferred name: 2-bromo-N'-tert-butyl-N-(4-chlorophenyl)prop-2-enimidamide
IUPAC: 2-bromo-N'-tert-butyl-N-(4-chlorophenyl)prop-2-enimidamide

Names & synonyms

85802-12-62-bromo-N'-tert-butyl-N-(4-chlorophenyl)prop-2-enimidamideNSC341436DTXSID40319188NSC-341436(1E)-2-Bromo-N'-tert-butyl-N-(4-chlorophenyl)prop-2-enimidamide

Database identifiers

CAS: 85802-12-6
PubChem CID: 334773
DTXSID: DTXSID40319188

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 299

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