AG0025PZ

1780-27-4 | Pyrimidine, 4,5,6-trichloro-

AG0025PZ

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CAS Number	1780-27-4
Catalog Number	AG0025PZ(AGN-PC-0JOKWN)
Chemical Name	Pyrimidine, 4,5,6-trichloro-
IUPAC Name	4,5,6-trichloropyrimidine
InChI	InChI=1S/C4HCl3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChI Key	AUWPHGWEYHEAIG-UHFFFAOYSA-N
MDL Number	MFCD08458457
Molecular Formula	C4HCl3N2
Molecular Weight	183.4231
NSC Number	66902
SMILES	C1=NC(=C(Cl)C(=N1)Cl)Cl
Synonyms	4,5,6-Trichloropyrimidine, 1780-27-4, Pyrimidine, 4,5,6-trichloro-, AK-25511, 4,5,6-Trichloro pyrimidine, NSC66902, PubChem21473, AC1Q3PZA, ACMC-209ee1, 4,5,6 trichloropyrimidine, AC1L6NK8, SCHEMBL83499, 4,5,6-Trichloro-pyrimidine, KSC497I1P, Jsp003664, CHEMBL1965328, CTK3J7417, 4,5,6-Trichloro-1,3-diazine, DTXSID20290123, AUWPHGWEYHEAIG-UHFFFAOYSA-N, 3,4,5-TRICHLOROPYRIMIDINE, ACT04245, BCP15609, EBD37416, KS-00000J0F, ZINC1694093, ZX-AT004215, ANW-22919, BBL101621, CT-478, FC0648, FCH921620, MFCD08458457, NSC-66902, STL555417, AKOS005259919, AC-2411, ACM1780274, CS-W017036, OR15924, PS-3884, RP24422, RTR-008158, VP50350, AJ-30239, AN-13993, BC215383, BR-25511, CJ-06569, CJ-28397, HC210366, NCI60_024048, SC-15565, SY006155, AB0056714, AX8018933, TR-008158, 4CH-001385, FT-0648452, ST24028678, S-5376, MFCD08458457 (97+%), 780T274, C-58316, I03-0173, AR-1F8269, CID249007, ACN-052494, 1,2,3,4-Tetrahydro-2-methylquinoline, 4,5,6-trichloropyrimidine, 95% - 1G 1g, T2550, 21122-73-6, 63-89-8,

Complexity	89.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.921g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.416g/mol
Monoisotopic Mass	181.921g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number