AG00216I

175791-53-4 | 7H-Pyrrolo[2,3-d]pyrimidine, 5-iodo-

AG00216I

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CAS Number	175791-53-4
Catalog Number	AG00216I(AGN-PC-0N7HLN)
Chemical Name	7H-Pyrrolo[2,3-d]pyrimidine, 5-iodo-
IUPAC Name	5-iodo-7H-pyrrolo[2,3-d]pyrimidine
InChI	InChI=1S/C6H4IN3/c7-5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,8,9,10)
InChI Key	IZYCEYOIUVOAQW-UHFFFAOYSA-N
MDL Number	MFCD13189362
Molecular Formula	C6H4IN3
Molecular Weight	245.0205
SMILES	IC1=CNC2=NC=NC=C21
Synonyms	5-Iodo-7H-pyrrolo[2,3-d]pyrimidine, 175791-53-4, AK-77977, AC1Q4PAC, SCHEMBL311676, 5-iodopyrrolo[2,3-d]pyrimidine, CTK4D5999, DTXSID40442501, IZYCEYOIUVOAQW-UHFFFAOYSA-N, KS-00000PM9, ANW-48021, MFCD13189362, SC4322, ZINC39077377, AKOS015853747, FCH1327712, LS40983, PB20786, 7H-Pyrrolo[2,3-d]pyrimidine, 5-iodo-, AJ-98000, BR-77977, CJ-19716, DS-17265, AB0022897, AX8224490, DB-065122, TR-035935, FT-0682851, ST24024122, W3851, A-6365, 5-Iodo-7H-pyrrolo[2,3-d]pyrimidine, AldrichCPR, I03-1302, C6H4IN3, CID10610336, 9-iodo-3,5,7-triazabicyclo[4.3.0]nona-1,3,5,8-tetraene,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.945g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.023g/mol
Monoisotopic Mass	244.945g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number