5-Amino-2-cyanobenzotrifluoride

Name: 5-Amino-2-cyanobenzotrifluoride
SKU: ACM654706
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Catalog NumberACM654706

CAS Number654-70-6

CategoryLiquid Crystal (LC) Building Blocks

IUPAC Name

4-amino-2-(trifluoromethyl)benzonitrile

Molecular Weight

186.13g/mol

Molecular Formula

C8H5F3N2

Canonical SMILES

C1=CC(=C(C=C1N)C(F)(F)F)C#N

InChI

InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2

InChI Key

PMDYLCUKSLBUHO-UHFFFAOYSA-N

Complexity

227

Covalently-Bonded Unit Count

EC Number

700-293-1;613-800-5

Exact Mass

186.040483g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

186.040483g/mol

Rotatable Bond Count

UNII

L47D9XHC08

XLogP3

1.8

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