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[[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETICACID

[[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETICACID structure

CAS No:
836-12-4
Formula:
C7H5F3N2O3S
Chemical Name:
[[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETICACID
Synonyms:
2-[4-Hydroxy-6-(trifluoromethyl)-2-pyrimidinylthio]acetic acid;[[1,4-Dihydro-4-oxo-6-(trifluoromethyl)-2-pyrimidinyl]thio]-acetic acid;C7H5F3N2O3S;CTK3E6295;DTXSID10628597;ZINC2567184;5396AJ;MFCD00665841;STL406984;AKOS000320363

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[[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETICACID Basic Attributes

Molecular Weight：

254.1864096

Exact Mass：

253.99700

DSSTox ID：

DTXSID10628597

HScode：

2933599090

Characteristics

PSA：

108.35000

XLogP3：

0.96540

Density：

1.73g/cm3

Boiling Point：

326.8ºC at 760 mmHg

Flash Point：

151.4ºC

Refractive Index：

1.58

Computed Properties

Molecular Weight:254.19
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:253.99729769
Monoisotopic Mass:253.99729769
Topological Polar Surface Area:104
Heavy Atom Count:16
Complexity:389
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETICACID

Basic Attributes
Characteristics
Computed Properties

[[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETICACID

SDS

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