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Structure

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde

CAS
1190310-15-6
Catalog Number
ACM1190310156
Category
Alcohols
Molecular Weight
164.14

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Specification

Hazard Statements
H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?

The molecular formula of the compound is C8H5FN2O.

What is the molecular weight of the compound?

The molecular weight of the compound is 164.14 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H5FN2O/c9-7-3-11-8-5(1-2-10-8)6(7)4-12/h1-4H,(H,10,11).

What is the InChIKey of the compound?

The InChIKey of the compound is QILHLWLSZHECBY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CNC2=NC=C(C(=C21)C=O)F.

What is the CAS number of the compound?

The CAS number of the compound is 1190310-15-6.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID20678427.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.9.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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