Propanedinitrile, [(2-bromophenyl)hydrazono]-

HCID 779795

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Basic information

CAS: 101398-30-5
Standard SMILES: N#CC(C#N)=NNc1ccccc1Br
InChIKey: FGGIUVZITPUMMQ-UHFFFAOYSA-N
Molecular formula: C9H5BrN4
Average molar mass: 249.07 g/mol
Monoisotopic mass: 247.96976

Names & identifiers

Preferred name: Propanedinitrile, [(2-bromophenyl)hydrazono]-
IUPAC: 2-[(2-bromophenyl)hydrazinylidene]propanedinitrile

Names & synonyms

101398-30-5Propanedinitrile, [(2-bromophenyl)hydrazono]-2-[(2-bromophenyl)hydrazinylidene]propanedinitrileN-(2-Bromophenyl)carbonohydrazonoyl dicyanide[(2-bromophenyl)hydrazono]malononitrileCCG-2589SCHEMBL924468DTXSID80354715FGGIUVZITPUMMQ-UHFFFAOYSA-NAKOS003611155(2-Bromophenyl)carbonohydrazonoyl dicyanide2-[(2-bromophenyl)hydrazono]malononitrile

Show more names

2-[(2-Bromophenyl)-hydrazono]malononitrileAB00082592-01SR-01000206707SR-01000206707-1

Database identifiers

CAS: 101398-30-5
PubChem CID: 779795
DTXSID: DTXSID80354715
Nikkaji: J1.598.359K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 72 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 300

Experimental & physicochemical properties

LogP3.11

Related reactions

3 records

New reaction record

HRID 254955As reactantuspto-grants-2011_01

HRID 2095121As reactantuspto-grants-2013_05

HRID 2304426As reactantuspto-grants-2002_08

Compound notes

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