Structure

4-Cyano-3-fluorobenzaldehyde

CAS
101048-76-4
Catalog Number
ACM101048764-1
Category
Aryl Fluorinated Building Blocks
Molecular Weight
149.12

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Specification

Hazard Statements
H314
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of 4-Cyano-3-fluorobenzaldehyde?

The molecular formula of 4-Cyano-3-fluorobenzaldehyde is C8H4FNO.

What is the molecular weight of 4-Cyano-3-fluorobenzaldehyde?

The molecular weight of 4-Cyano-3-fluorobenzaldehyde is 149.12 g/mol.

What are some synonyms for 4-Cyano-3-fluorobenzaldehyde?

Some synonyms for 4-Cyano-3-fluorobenzaldehyde include 2-Fluoro-4-formylbenzonitrile and 2-fluoro-4-formyl-benzonitrile.

What is the InChIKey of 4-Cyano-3-fluorobenzaldehyde?

The InChIKey of 4-Cyano-3-fluorobenzaldehyde is MYUPCEIJNBAAFL-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4-Cyano-3-fluorobenzaldehyde?

The canonical SMILES representation of 4-Cyano-3-fluorobenzaldehyde is C1=CC(=C(C=C1C=O)F)C#N.

What is the XLogP3-AA value of 4-Cyano-3-fluorobenzaldehyde?

The XLogP3-AA value of 4-Cyano-3-fluorobenzaldehyde is 1.2.

How many hydrogen bond acceptors does 4-Cyano-3-fluorobenzaldehyde have?

4-Cyano-3-fluorobenzaldehyde has 3 hydrogen bond acceptors.

What is the topological polar surface area of 4-Cyano-3-fluorobenzaldehyde?

The topological polar surface area of 4-Cyano-3-fluorobenzaldehyde is 40.9 Ų.

Does 4-Cyano-3-fluorobenzaldehyde have any defined atom stereocenters?

No, 4-Cyano-3-fluorobenzaldehyde does not have any defined atom stereocenters.

Is 4-Cyano-3-fluorobenzaldehyde a canonicalized compound?

Yes, 4-Cyano-3-fluorobenzaldehyde is a canonicalized compound.

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