[[1,4-Dihydro-4-oxo-6-(trifluoromethyl)-2-pyrimidinyl]thio]-acetic acid

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Catalog Number
ACM836124
Product Name
[[1,4-Dihydro-4-oxo-6-(trifluoromethyl)-2-pyrimidinyl]thio]-acetic acid
Structure
Structure
CAS
836-12-4
Category
Heterocyclic Organic Compound
Synonyms
[[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETIC ACID;[[1,4-Dihydro-4-oxo-6-(trifluoromethyl)-2-pyrimidinyl]thio]-acetic acid
IUPAC Name
2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetic acid
Molecular Weight
254.1864096
Molecular Formula
C7H5F3N2O3S
Canonical SMILES
C1=C(NC(=NC1=O)SCC(=O)O)C(F)(F)F
InChI Key
WIYYPOWHFQWKAF-UHFFFAOYSA-N
Boiling Point
326.8ºC at 760 mmHg
Flash Point
151.4ºC
Density
1.73g/cm³
Exact Mass
253.99700
H-Bond Acceptor
7
H-Bond Donor
2
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