Structure

5-Fluoro-2-methylbenzonitrile

CAS
77532-79-7
Catalog Number
ACM77532797
Category
Aryl Fluorinated Building Blocks
Molecular Weight
135.14
Molecular Formula
C8H6FN

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Specification

Synonyms
Benzonitrile, 5-fluoro-2-methyl-
IUPAC Name
5-fluoro-2-methylbenzonitrile
Canonical SMILES
CC1=C(C=C(C=C1)F)C#N
InChI
InChI=1S/C8H6FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
InChI Key
IBRODYNXELBTJC-UHFFFAOYSA-N
Boiling Point
230 °C
Melting Point
43-45 °C
Density
1.12 g/ml
Hazard Statements
H315-H318-H335
RIDADR
UN 1993C 3 / PGIII
Symbol
GHS05
What is the molecular formula of 5-Fluoro-2-methylbenzonitrile?

The molecular formula of 5-Fluoro-2-methylbenzonitrile is C8H6FN.

What is the molecular weight of 5-Fluoro-2-methylbenzonitrile?

The molecular weight of 5-Fluoro-2-methylbenzonitrile is 135.14 g/mol.

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

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

What is the InChI key of 5-Fluoro-2-methylbenzonitrile?

The InChI key of 5-Fluoro-2-methylbenzonitrile is IBRODYNXELBTJC-UHFFFAOYSA-N.

What is the canonical SMILES representation of 5-Fluoro-2-methylbenzonitrile?

The canonical SMILES representation of 5-Fluoro-2-methylbenzonitrile is CC1=C(C=C(C=C1)F)C#N.

What is the CAS number of 5-Fluoro-2-methylbenzonitrile?

The CAS number of 5-Fluoro-2-methylbenzonitrile is 77532-79-7.

What is the EC number of 5-Fluoro-2-methylbenzonitrile?

The EC number of 5-Fluoro-2-methylbenzonitrile is 623-177-1.

What is the XLogP3-AA value of 5-Fluoro-2-methylbenzonitrile?

The XLogP3-AA value of 5-Fluoro-2-methylbenzonitrile is 2.1.

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

5-Fluoro-2-methylbenzonitrile has 0 hydrogen bond donor counts.

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

5-Fluoro-2-methylbenzonitrile has 2 hydrogen bond acceptor counts.

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