4-Bromo-5-nitro-thiophene-2-carbaldehyde oxime

HCID 73852152

Notes Reactions

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Basic information

Standard SMILES: O=[N+]([O-])c1sc(C=NO)cc1Br
InChIKey: VEHOEHLROPOFBF-UHFFFAOYSA-N
Molecular formula: C5H3BrN2O3S
Average molar mass: 251.06 g/mol

Names & identifiers

Preferred name: 4-Bromo-5-nitro-thiophene-2-carbaldehyde oxime
IUPAC: N-[(4-bromo-5-nitrothiophen-2-yl)methylidene]hydroxylamine

Names & synonyms

SCHEMBL950131VEHOEHLROPOFBF-UHFFFAOYSA-N4-Bromo-5-nitro-thiophene-2-carbaldehyde oxime

Database identifiers

PubChem CID: 73852152

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 207

Related reactions

12 records

New reaction record

HRID 115358As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 132074As productuspto-grants-2008_06

HRID 132075As reactantuspto-grants-2008_06

HRID 252223As productuspto-grants-2011_01

HRID 252224As reactantuspto-grants-2011_01

HRID 723229As productuspto-grants-2006_11

HRID 723230As reactantuspto-grants-2006_11

HRID 947730As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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