5-Fluoro-2-hydroxybenzonitrile

CAS

91407-41-9

Catalog Number

ACM91407419

Category

Other Products

Molecular Weight

137.111163 [g/mol]

Molecular Formula

C₇H₄FNO₄

MSDS COA Spec Sheet

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Specification

Synonyms

5-Fluoro-2-hydroxybenzonitrile, 91407-41-9, Benzonitrile, 5-fluoro-2-hydroxy-, ACMC-209rbc, SureCN378846, 2-CYANO-4-FLUOROPHENOL, AGN-PC-00K354, CTK3I1080, ANW-39670, ZINC36533626, AKOS012980550, MB10100, AK-98170, BD232059, KB-245953

IUPAC Name

5-fluoro-2-hydroxybenzonitrile

Canonical SMILES

C1=CC(=C(C=C1F)C#N)O

InChI Key

MWLKQSIMPLORKX-UHFFFAOYSA-N

Exact Mass

137.02800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 5-Fluoro-2-hydroxybenzonitrile?

The molecular formula of 5-Fluoro-2-hydroxybenzonitrile is C7H4FNO.

When was the PubChem CID for 5-Fluoro-2-hydroxybenzonitrile created?

The PubChem CID for 5-Fluoro-2-hydroxybenzonitrile was created on February 8, 2007.

What is the IUPAC name of 5-Fluoro-2-hydroxybenzonitrile?

The IUPAC name of 5-Fluoro-2-hydroxybenzonitrile is 5-fluoro-2-hydroxybenzonitrile.

How many hydrogen bond donor counts does 5-Fluoro-2-hydroxybenzonitrile have?

5-Fluoro-2-hydroxybenzonitrile has 1 hydrogen bond donor count.

What is the exact mass of 5-Fluoro-2-hydroxybenzonitrile?

The exact mass of 5-Fluoro-2-hydroxybenzonitrile is 137.027691913 g/mol.

How many rotatable bond counts does 5-Fluoro-2-hydroxybenzonitrile have?

5-Fluoro-2-hydroxybenzonitrile has 0 rotatable bond count.

Is 5-Fluoro-2-hydroxybenzonitrile a covalently-bonded unit?

Yes, 5-Fluoro-2-hydroxybenzonitrile is a covalently-bonded unit.

What is the InChIKey of 5-Fluoro-2-hydroxybenzonitrile?

The InChIKey of 5-Fluoro-2-hydroxybenzonitrile is MWLKQSIMPLORKX-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 5-Fluoro-2-hydroxybenzonitrile have?

5-Fluoro-2-hydroxybenzonitrile has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 5-Fluoro-2-hydroxybenzonitrile?

The topological polar surface area of 5-Fluoro-2-hydroxybenzonitrile is 44 Å2.

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