AG0038CI

1053228-28-6 | 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine

AG0038CI

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CAS Number	1053228-28-6
Catalog Number	AG0038CI(AGN-PC-09MQSF)
Chemical Name	2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name	2,4,5-trichloro-7H-pyrrolo[2,3-d]pyrimidine
InChI	InChI=1S/C6H2Cl3N3/c7-2-1-10-5-3(2)4(8)11-6(9)12-5/h1H,(H,10,11,12)
InChI Key	YUKWSCQSOXCSES-UHFFFAOYSA-N
MDL Number	MFCD13193620
Molecular Formula	C6H2Cl3N3
Molecular Weight	222.4592
SMILES	ClC=1N=C(C2=C(N1)NC=C2Cl)Cl
Synonyms	2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine, 1053228-28-6, C6H2Cl3N3, SCHEMBL2594685, CTK4A3739, DTXSID30680955, YUKWSCQSOXCSES-UHFFFAOYSA-N, BCP18089, KS-00000EA4, ANW-45572, MFCD13193620, ZINC59269083, AKOS015850453, CS-W003858, ES-2019, FCH1382001, QC-3861, RP27407, SB16442, AK-31644, AM802874, BR-31644, CJ-20859, SC-04869, SY033472, AB0034574, AJ-113412, AX8160367, ST1191184, TR-033931, 4CH-008582, X8750, MFCD13193620 (95%), S-6688, J-507050,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.931g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.453g/mol
Monoisotopic Mass	220.931g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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