AG008DOX

877060-48-5 | tert-Butyl 3-iodo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

AG008DOX

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CAS Number	877060-48-5
Catalog Number	AG008DOX(AGN-PC-0VG1OK)
Chemical Name	tert-Butyl 3-iodo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
IUPAC Name	tert-butyl 3-iodopyrrolo[3,2-c]pyridine-1-carboxylate
InChI	InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-7-9(13)8-6-14-5-4-10(8)15/h4-7H,1-3H3
InChI Key	ZCUUSJHYRNBFJY-UHFFFAOYSA-N
MDL Number	MFCD08234845
Molecular Formula	C12H13IN2O2
Molecular Weight	344.1483
SMILES	O=C(N1C=C(I)C2=C1C=CN=C2)OC(C)(C)C
Synonyms	877060-48-5, TERT-BUTYL 3-IODO-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE, 1-Boc-3-iodo-5-azaindole, AK146024, SCHEMBL1587770, CTK5F8913, DTXSID50722866, MFCD08234845, ZINC90560970, AKOS022186441, DS-8441, FCH2714443, PB10522, KS-000003I9, AM804468, DA-02070, SC-30579, AX8152843, CS-0037775, FT-0711302, C-8691, tert-butyl 3-iodo-1H-pyrrolo[3,2-c]pyridine-1-carb, 1H-Pyrrolo[3,2-c]pyridine-1-carboxylicacid, 3-iodo-, 1,1-dimethylethyl ester, tert-Butyl3-iodo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.002g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	344.152g/mol
Monoisotopic Mass	344.002g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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