AG003A4H

1100318-96-4 | 4-Iodo-7H-pyrrolo[2,3-d]pyrimidine

AG003A4H

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CAS Number	1100318-96-4
Catalog Number	AG003A4H(AGN-PC-0C3GKK)
Chemical Name	4-Iodo-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name	4-iodo-7H-pyrrolo[2,3-d]pyrimidine
InChI	InChI=1S/C6H4IN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChI Key	UEUGYIMGLFJGGX-UHFFFAOYSA-N
MDL Number	MFCD17016136
Molecular Formula	C6H4IN3
Molecular Weight	245.0205
SMILES	IC=1C2=C(N=CN1)NC=C2
Synonyms	4-Iodo-7H-pyrrolo[2,3-d]pyrimidine, 1100318-96-4, SCHEMBL126051, 4-iodopyrrolo[2,3-d]pyrimidine, DTXSID60728157, UEUGYIMGLFJGGX-UHFFFAOYSA-N, KS-000003EH, 1917AA, MFCD17016136, ZINC85210318, AKOS016009096, PB33386, 7H-Pyrrolo[2,3-d]pyrimidine, 4-iodo-, AK106947, AS-39222, AJ-126523, CS-0050827, FT-0759636, Q-1951, C6H4IN3,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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