AG00IERM

87789-51-3 | Pyrimidine, 2-chloro-5-fluoro-4-(methylthio)-

AG00IERM

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CAS Number	87789-51-3
Catalog Number	AG00IERM(AGN-PC-00NA04)
Chemical Name	Pyrimidine, 2-chloro-5-fluoro-4-(methylthio)-
IUPAC Name	2-chloro-5-fluoro-4-methylsulfanylpyrimidine
InChI	InChI=1S/C5H4ClFN2S/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3
InChI Key	JORGKVXNFHVPKA-UHFFFAOYSA-N
MDL Number	MFCD16876993
Molecular Formula	C5H4ClFN2S
Molecular Weight	178.6151
SMILES	CSC1=NC(Cl)=NC=C1F
Synonyms	87789-51-3, 2-chloro-5-fluoro-4-(methylsulfanyl)pyrimidine, 2-chloro-5-fluoro-4-(methylthio)pyrimidine, Pyrimidine, 2-chloro-5-fluoro-4-(methylthio)-, SCHEMBL2126014, JORGKVXNFHVPKA-UHFFFAOYSA-N, MFCD16876993, ZINC34103933, AKOS017518504, SS-4557, 2-chloro-5-fluoro-4-methylthiopyrimidine, AK173890, CS-0045698, 2-Chloro-5-fluoro-4-methylsulfanyl-pyrimidine, ACN-052485,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.977g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.609g/mol
Monoisotopic Mass	177.977g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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