CAS 60074-25-1 Chlorazifop (HCID 173715)

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Basic information

CAS: 60074-25-1
Standard SMILES: CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)O
InChIKey: SVGBNTOHFITEDI-UHFFFAOYSA-N
Molecular formula: C14H11Cl2NO4
Average molar mass: 328.1 g/mol
Monoisotopic mass: 327.0065132

Names & identifiers

Preferred name: Chlorazifop
IUPAC: 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid
English name: 2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]propanoic acid
Molecular formula: C14H11Cl2NO4
Molecular weight: 328.15

Names & synonyms

Chlorazifop60074-25-1Chlorazifop [ISO]2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]propanoic acidUNII-903F05HSX2903F05HSX2Propanoic acid, 2-(4-((3,5-dichloro-2-pyridinyl)oxy)phenoxy)-Propanoic acid, 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-PYRIPHENOPOprea1_474321SCHEMBL134252CHEMBL2288782

Show more names

FOE-3798SL-501【pesticide】2-[4-(3,5-Dichloro-2-pyridyloxy)phenoxy]propionic acid2-[4-[(3,5-Dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid

SCHEMBL29419117DTXSID709754982-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PROPANOIC ACIDAKOS002348768AKOS016043001DB-302794AE-848/32003003Q27271274

Database identifiers

CAS: 60074-25-1
PubChem CID: 173715
DTXSID: DTXSID70975498
ChEMBL: CHEMBL2288782
UNII: 903F05HSX2
Nikkaji: J21.263F

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 68.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 350

Physicochemical properties

Boiling point: 442.8 · 442.8±45.0 °C(Predicted)
Density: 1.431 · 1.431±0.06 g/cm3(Predicted)
pka: 3.12 · 3.12±0.10(Predicted)
FDA UNII: 903 F05HSX2 · 903F05HSX2
EPA Substance Registry System: 2 · Propanoic acid, 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]- (60074-25-1)