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Phenyl [1-(4-pyridinyl)ethylidene]carbazate

HCID 53675283
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=NNC(=O)Oc1ccccc1)c1ccncc1
InChIKey
BCSRSIWUEDRZII-UHFFFAOYSA-N
Molecular formula
C14H13N3O2
Average molar mass
255.27 g/mol

Names & identifiers

Preferred name
Phenyl [1-(4-pyridinyl)ethylidene]carbazate
IUPAC
phenyl N-(1-pyridin-4-ylethylideneamino)carbamate

Names & synonyms

BCSRSIWUEDRZII-UHFFFAOYSA-Nphenyl [1-(4-pyridinyl)ethylidene]carbazate

Database identifiers

PubChem CID
53675283

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
319

Related reactions

2 records
New reaction record
HRID 672858 reaction equation
HRID 672858As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1085952 reaction equation
HRID 1085952As productuspto-grants-1991_04

Compound notes

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