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2,4,6-Trichloro-5-fluoropyrimidine

2,4,6-Trichloro-5-fluoropyrimidine - CAS 6693-08-9

Catalog:	BB033148
Product Name:	2,4,6-Trichloro-5-fluoropyrimidine
CAS:	6693-08-9
Synonyms:	2,4,6-trichloro-5-fluoropyrimidine; 2,4,6-trichloro-5-fluoropyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	2,4,6-trichloro-5-fluoropyrimidine
Description:	2,4,6-Trichloro-5-fluoropyrimidine (CAS# 6693-08-9) is a useful research chemical compound.
Molecular Weight:	201.41
Molecular Formula:	C4Cl3FN2
Canonical SMILES:	C1(=C(N=C(N=C1Cl)Cl)Cl)F
InChI:	InChI=1S/C4Cl3FN2/c5-2-1(8)3(6)10-4(7)9-2
InChI Key:	XXBZSPPWTVRISV-UHFFFAOYSA-N
Boiling Point:	222.454 °C at 760 mmHg
Density:	1.737 g/cm³
MDL:	MFCD11040435
LogP:	2.57590

Publication Number	Title	Priority Date
CN-113429410-A	Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof	20200323
WO-2021185256-A1	Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof	20200316
CN-112778331-A	Tricyclic dihydroimidazopyrimidinone derivatives, preparation method, pharmaceutical composition and application thereof	20191109
WO-2021089032-A1	Tricyclic dihydroimidazopyrimidone derivative, preparation method therefor, pharmaceutical composition and use thereof	20191109
WO-2020244613-A1	2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor	20190606

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Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.911109
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.911109
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2