2-Methyl-4-(trifluoromethyl)benzonitrile

HCID 22250332
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Basic information

Standard SMILES
Cc1cc(C(F)(F)F)ccc1C#N
InChIKey
RGABUAQUWGBFSG-UHFFFAOYSA-N
Molecular formula
C9H6F3N
Average molar mass
185.15 g/mol
Monoisotopic mass
185.04523368

Names & identifiers

Preferred name
2-Methyl-4-(trifluoromethyl)benzonitrile
IUPAC
2-methyl-4-(trifluoromethyl)benzonitrile

Names & synonyms

2-methyl-4-(trifluoromethyl)benzonitrile362640-56-0MFCD13185724Benzonitrile, 2-methyl-4-(trifluoromethyl)-SCHEMBL964361SCHEMBL169528812-methyl-4(trifluoromethyl)benzonitrileBS-32342DA-06425G85914

Database identifiers

PubChem CID
22250332

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13

Related reactions

7 records
New reaction record

Linked notes

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