AG000K29

123148-78-7 | 4-Chloro-5-iodo-1h-pyrrolo[2,3-d]pyrimidine

AG000K29

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CAS Number	123148-78-7
Catalog Number	AG000K29(AGN-PC-002MFA)
Chemical Name	4-Chloro-5-iodo-1h-pyrrolo[2,3-d]pyrimidine
IUPAC Name	4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
InChI	InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChI Key	CBWBJFJMNBPWAL-UHFFFAOYSA-N
MDL Number	MFCD09263258
Molecular Formula	C6H3ClIN3
Molecular Weight	279.4656
SMILES	ClC=1C2=C(N=CN1)NC=C2I
Synonyms	4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, 123148-78-7, 6-Chloro-7-iodo-7-deazapurine, 4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine, 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine, CHEMBL540994, MFCD09263258, AK-23760, 4-CHLORO-5-IODOPYRROLO[2,3-D]PYRIMIDINE, W-205158, 7H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-5-IODO-, 6-Chloro-7-iodo-deazapurine, 96%, 4-chloro-5-iodo-7H-pyrrolo[2,3-d] pyrimidine, ACMC-20agy2, AC1Q3HWM, AMTNS039, SCHEMBL61206, CTK4B3408, CTK8E2305, DTXSID00564258, CBWBJFJMNBPWAL-UHFFFAOYSA-N, BCP07177, CS-M1580, PS-J-140, ZX-AT003344, ANW-72888, BDBM50414152, ZINC32915201, AKOS015850517, AKOS015914474, AN-5882, CC-1758, CM14224, FCH1325689, LS40960, MCULE-1829098860, OR40353, PB27990, QC-2487, RP08677, RTR-003661, 6-Chloro-7-iodo-7-deazapurine, 95%, KS-000002S9, AJ-85763, BC655597, BR-23760, SC-49254, SY011869, 4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidine, AB0009282, AB1011753, AX8017834, DB-012184, ST1191204, TR-003661, 4-Chloro-5-iodo-pyrrolo[2,3-d]-pyrimidine, 4CH-009499, AM20080173, FT-0646880, 4Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, A-6278, 4-chloro-5-iodo-7H-pyrrolo-[2,3-d]pyrimidine, 4-chloro-5-iodo-7H-pyrrolo[2,3-d]-pyrimidine, 58601-EP2305682A1, 58601-EP2308879A1, 58655-EP2305682A1, 58655-EP2308879A1, 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-5-iodo-, MFCD09263258 (97+%), 148C787, 2Y-0261, 4-chloro-5-iodo-7-H-pyrrolo[2,3-d]-pyrimidine, S14-0137, I14-41268, null, Pyridaben, PYRIMIDINE, C6H3ClIN3, MFCD13189363, ACN-034536, 6-Chloro-7-iodo-7-deazapurine, 96% 1g, A2603, C3130, 6-Chloro-7-iodo-7-deazapurine, 98% - 1G 1g, 1035235-28-9,

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	2.3

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

Lot Number