Compound C19H18F3N5O9

dimethyl-[3-[2-oxo-5-(trifluoromethyl)-1,3-benzoxazol-3-yl]propyl]azanium;2,4,6-trinitrophenolate

CAS: 19420-42-9

Molecular Formula	`C19H18F3N5O9`
Molecular Weight	517.4 g/mol
Topological Polar Surface Area	195.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	12
Rotatable Bonds	4
Exact Mass	517.10565
Heavy Atoms	36
Complexity	652.0

Chemical Identifiers

CAS Number	19420-42-9
SMILES	`C[NH+](C)CCCN1C2=C(C=CC(=C2)C(F)(F)F)OC1=O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`SUOQRZHJGDUTDK-UHFFFAOYSA-N`

📖 Product Overview

Compound C19H18F3N5O9 (CAS: 19420-42-9) is a chemical compound with molecular formula C19H18F3N5O9 and molecular weight 517.4 g/mol. Its IUPAC systematic name is dimethyl-[3-[2-oxo-5-(trifluoromethyl)-1,3-benzoxazol-3-yl]propyl]azanium;2,4,6-trinitrophenolate. Topological Polar Surface Area 195.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 12 Rotatable Bonds 4 Exact Mass 517.10565 Heavy Atoms 36 Complexity 652.0 InChI Key: SUOQRZHJGDUTDK-UHFFFAOYSA-N. SMILES: C[NH+](C)CCCN1C2=C(C=CC(=C2)C(F)(F)F)OC1=O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].

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