AG00DLC9

56032-35-0 | 4-Chloro-6-methoxy-2-(methylthio)-5-nitropyrimidine

AG00DLC9

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CAS Number	56032-35-0
Catalog Number	AG00DLC9(AGN-PC-0WAZZD)
Chemical Name	4-Chloro-6-methoxy-2-(methylthio)-5-nitropyrimidine
IUPAC Name	4-chloro-6-methoxy-2-methylsulfanyl-5-nitropyrimidine
InChI	InChI=1S/C6H6ClN3O3S/c1-13-5-3(10(11)12)4(7)8-6(9-5)14-2/h1-2H3
InChI Key	LHFPJGXWWXFDAC-UHFFFAOYSA-N
MDL Number	MFCD29922353
Molecular Formula	C6H6ClN3O3S
Molecular Weight	235.6481
SMILES	O=[N+](C1=C(OC)N=C(SC)N=C1Cl)[O-]
Synonyms	56032-35-0, 4-Chloro-6-methoxy-2-(methylthio)-5-nitropyrimidine, 4-chloro-6-methoxy-2-(methylsulfanyl)-5-nitropyrimidine, SCHEMBL1760966, SCHEMBL14389607, KS-00000LDZ, LHFPJGXWWXFDAC-UHFFFAOYSA-N, MFCD29922353, AKOS027338245, ZINC117024609, GS-5556, AK340264, CS-0041721, 4-Chloro-6-methoxy-2-methylthio-5-nitropyrimidine,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.982g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.642g/mol
Monoisotopic Mass	234.982g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	106A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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