4-Fluoro-2-methyl-5-nitrobenzonitrile

Name: 4-Fluoro-2-methyl-5-nitrobenzonitrile
SKU: ACM932375183
Rating: 5 (1 reviews)

CAS

932375-18-3

Catalog Number

ACM932375183

Category

Other Products

Molecular Weight

180.135903 [g/mol]

Molecular Formula

C8H5FN2O2

COA MSDS SDS Spec Sheet

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Specification

Synonyms

4-Fluoro-2-methyl-5-nitrobenzonitrile, 932375-18-3, SureCN2870229, CTK8B5234, ANW-48094, SC4319, AKOS015919743, 4-Fluoro-5-nitro-2-methylbenzonitrile, AK-77975, BD224488, BR-77975, KB-72472, W9597

IUPAC Name

4-fluoro-2-methyl-5-nitrobenzonitrile

SMILES

CC1=CC(=C(C=C1C#N)[N+](=O)[O-])F

InChI Key

MCWKESZUGXPBHI-UHFFFAOYSA-N

Exact Mass

180.03400

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 4-Fluoro-2-methyl-5-nitrobenzonitrile?

The molecular formula is C8H5FN2O2.

What is the molecular weight of 4-Fluoro-2-methyl-5-nitrobenzonitrile?

The molecular weight is 180.14 g/mol.

What is the IUPAC name of 4-Fluoro-2-methyl-5-nitrobenzonitrile?

The IUPAC name is 4-fluoro-2-methyl-5-nitrobenzonitrile.

What is the InChI of 4-Fluoro-2-methyl-5-nitrobenzonitrile?

The InChI is InChI=1S/C8H5FN2O2/c1-5-2-7(9)8(11(12)13)3-6(5)4-10/h2-3H,1H3.

What is the InChIKey of 4-Fluoro-2-methyl-5-nitrobenzonitrile?

The InChIKey is MCWKESZUGXPBHI-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Fluoro-2-methyl-5-nitrobenzonitrile?

The canonical SMILES is CC1=CC(=C(C=C1C#N)[N+](=O)[O-])F.

What is the CAS number of 4-Fluoro-2-methyl-5-nitrobenzonitrile?

The CAS number is 932375-18-3.

What is the XLogP3-AA value of 4-Fluoro-2-methyl-5-nitrobenzonitrile?

The XLogP3-AA value is 1.9.

How many hydrogen bond acceptors does 4-Fluoro-2-methyl-5-nitrobenzonitrile have?

It has 4 hydrogen bond acceptors.

Is 4-Fluoro-2-methyl-5-nitrobenzonitrile a canonicalized compound?

Yes, it is canonicalized.

Upstream Synthesis Route 1

147754-12-9

932375-18-3

Reference: [1]Patent: WO2007/36718,2007,A2 .Location in patent: Page/Page column 85

Downstream Synthesis Route 1

932375-18-3
87120-72-7

932375-19-4

Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2007/36718, 2007, A2
Location in patent: Page/Page column 85-86

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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