AG00FC90

695-85-2 | Pyrimidine, 4-chloro-5-methoxy- (6CI,7CI,8CI,9CI)

AG00FC90

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CAS Number	695-85-2
Catalog Number	AG00FC90(AGN-PC-0NECIB)
Chemical Name	Pyrimidine, 4-chloro-5-methoxy- (6CI,7CI,8CI,9CI)
IUPAC Name	4-chloro-5-methoxypyrimidine
InChI	InChI=1S/C5H5ClN2O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3
InChI Key	CTMIYYREUVYVEL-UHFFFAOYSA-N
MDL Number	MFCD09966063
Molecular Formula	C5H5ClN2O
Molecular Weight	144.5590
SMILES	COC1=CN=CN=C1Cl
Synonyms	4-Chloro-5-methoxypyrimidine, 695-85-2, 4-Chloro-5-methoxy-pyrimidine, 4-chloro-5-pyrimidinyl methyl ether, AN-584/42206186, SCHEMBL3081479, Pyrimidine, 4-chloro-5-methoxy- (6CI,7CI,8CI,9CI), CTK7B1927, DTXSID00451598, CTMIYYREUVYVEL-UHFFFAOYSA-N, Pyrimidine, 4-chloro-5-methoxy-, KS-00000OD2, ANW-52513, MFCD09966063, SBB086368, ZINC19872633, AKOS006310697, CS-W018677, GS-6685, HP23445, MP-1016, RP20946, SB18557, VP50228, AC-26673, AJ-75575, AK-30681, CJ-16475, DA-17834, SC-25126, AB0037670, TC-141258, 4CH-003282, FT-0762370, ST24029023, Y4973, J-515063, F2147-1086, C5H5ClN2O, ACN-027096, CID11008039,

Complexity	91
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.009g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.558g/mol
Monoisotopic Mass	144.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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