AG000GI5

1152475-50-7 | 5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-7-iodo-

AG000GI5

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CAS Number	1152475-50-7
Catalog Number	AG000GI5(AGN-PC-0NYOUG)
Chemical Name	5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-7-iodo-
IUPAC Name	2-chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine
InChI	InChI=1S/C6H3ClIN3/c7-6-10-2-4-5(11-6)3(8)1-9-4/h1-2,9H
InChI Key	INKBZIDRWUSKPM-UHFFFAOYSA-N
MDL Number	MFCD12406130
Molecular Formula	C6H3ClIN3
Molecular Weight	279.4656
SMILES	ClC1=NC2=C(C=N1)[NH]C=C2I
Synonyms	2-chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine, 1152475-50-7, AK-28180, PubChem20804, SCHEMBL1674215, CTK4A9253, DTXSID80670664, INKBZIDRWUSKPM-UHFFFAOYSA-N, KS-000006QF, ANW-51720, MFCD12406130, ZINC43828354, AKOS005073863, DS-0633, FCH1345391, PB17981, QC-5331, RP29819, RTR-034122, BR-28180, CJ-20398, AB0034884, AJ-109055, AX8160328, DB-060712, TR-034122, 4CH-008559, CS-0018848, FT-0737319, ST24027946, X9113, S-7516, 5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-7-iodo-, I14-9465, J-508992, C6H3ClIN3,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.906g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.465g/mol
Monoisotopic Mass	278.906g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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