AG002V1D

28969-60-0 | 4-Pyrimidinamine, 2,5,6-trichloro-

AG002V1D

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CAS Number	28969-60-0
Catalog Number	AG002V1D(AGN-PC-0COMZH)
Chemical Name	4-Pyrimidinamine, 2,5,6-trichloro-
IUPAC Name	2,5,6-trichloropyrimidin-4-amine
InChI	InChI=1S/C4H2Cl3N3/c5-1-2(6)9-4(7)10-3(1)8/h(H2,8,9,10)
InChI Key	GLDNZPLPEYLLNS-UHFFFAOYSA-N
MDL Number	MFCD09744035
Molecular Formula	C4H2Cl3N3
Molecular Weight	198.4378
SMILES	NC1=NC(Cl)=NC(Cl)=C1Cl
Synonyms	2,5,6-Trichloropyrimidin-4-amine, 28969-60-0, 4-Amino-2,5,6-trichloropyrimidine, TRICHLOROPYRIMIDIN-4-AMINE, 2,5,6-trichloropyrimidine-4-amine, AK126213, 2,5,6-TRICHLORO-PYRIMIDIN-4-YLAMINE, SCHEMBL1182747, Jsp005533, CTK4G2499, DTXSID20578852, GLDNZPLPEYLLNS-UHFFFAOYSA-N, 2,5,6-trichloro-4-pyrimidinamine, KS-00000NX0, 4-Pyrimidinamine,2,5,6-trichloro-, FCH869414, MFCD09744035, ZINC22116117, 4-Pyrimidinamine, 2,5,6-trichloro-, AKOS006331885, DS-5080, MP-1991, QC-9221, VP50192, ACM28969600, 2,5,6-tris(chloranyl)pyrimidin-4-amine, AJ-81055, CJ-17334, HC210244, AX8093616, ST2415827, 4CH-015759, CS-0045910, A67423, 969A600, A819697, Boc-HomoArg(NO2)-OH,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.931g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.431g/mol
Monoisotopic Mass	196.931g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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