AG008TW0

1120214-92-7 | ETHYL 4-CHLOROPYRROLO[1,2-F][1,2,4]TRIAZINE-2-CARBOXYLATE

AG008TW0

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CAS Number	1120214-92-7
Catalog Number	AG008TW0(AGN-PC-05SPNY)
Chemical Name	ETHYL 4-CHLOROPYRROLO[1,2-F][1,2,4]TRIAZINE-2-CARBOXYLATE
IUPAC Name	ethyl 4-chloropyrrolo[2,1-f][1,2,4]triazine-2-carboxylate
InChI	InChI=1S/C9H8ClN3O2/c1-2-15-9(14)8-11-7(10)6-4-3-5-13(6)12-8/h3-5H,2H2,1H3
InChI Key	WRARSQVGYXYTRF-UHFFFAOYSA-N
MDL Number	MFCD11044886
Molecular Formula	C9H8ClN3O2
Molecular Weight	225.6317
SMILES	O=C(C(N=C1Cl)=NN2C1=CC=C2)OCC
Synonyms	1120214-92-7, Ethyl 4-chloropyrrolo[2,1-f][1,2,4]triazine-2-carboxylate, Ethyl 4-chloropyrrolo[1,2-f][1,2,4]triazine-2-carboxylate, CTK8B5278, DTXSID30653346, ANW-48227, MFCD11044886, SC3151, ZINC30678446, AKOS015919786, RP09536, SB15734, AJ-84096, AK-77929, AS-54640, BR-77929, AB1004516, AX8224447, TR-039548, CS-0054445, FT-0685818, ST24024943, X8990, S-7493, J-520999, 4-Chloropyrrolo[2,1-f][1,2,4]triazine-2-carboxylic acid ethyl ester, null, C9H8ClN3O2, Ethyl4-chloropyrrolo[2,1-f][1,2,4]triazine-2-carboxylate,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.031g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.632g/mol
Monoisotopic Mass	225.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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