Perfluoroheptanoic acid
Synonyms: Perfluoroheptanoic acid, "Tridecafluoroheptanoic acid", "Perfluoroenanthic Acid", "Perfluoro-n-heptanoic acid", "Perfluoroheptanoicacid", "Heptanoic acid, tridecafluoro-", "Tridecafluoro-1-heptanoic acid", "2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid", "n-perfluoroheptanoic acid", "Tridecafluoroenanthic Acid"
Source: perfluoroheptanoic acid is a perfluorinated chemical (PFC). PFCs are fully fluorinated man-made chemicals with properties that make them useful in different industrial and household applications.
Identifiers:
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CAS Number: 375-85-9
PubChem ID: 67818
InChiKey: ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Canonical SMILES: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Structural Properties:
Molecular Formula: C7HF13O2
Molecular Weight: 364,060
Pharmacophore Features:
Number of bond donors: 1
Number of bond acceptors: 15
Number of atoms different from hydrogen: 22
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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Emerging Contaminant
Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.
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2D-structure
3D-structure
