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7-(Dimethylamino)-4-(trifluoromethyl)coumarin

Catalog Number
ACM53518142-1
Product Name
7-(Dimethylamino)-4-(trifluoromethyl)coumarin
Structure
CAS
53518-14-2
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
7-(dimethylamino)-4-(trifluoromethyl)chromen-2-one
Molecular Weight
257.21g/mol
Molecular Formula
C12H10F3NO2
Canonical SMILES
CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
InChI
InChI=1S/C12H10F3NO2/c1-16(2)7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6H,1-2H3
InChI Key
KDTAEYOYAZPLIC-UHFFFAOYSA-N
Complexity
376
Covalently-Bonded Unit Count
1
EC Number
258-598-6
Exact Mass
257.066363g/mol
Formal Charge
0
Heavy Atom Count
18
Monoisotopic Mass
257.066363g/mol
Rotatable Bond Count
1
XLogP3
2.9
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