AG003E17

226085-17-2 | tert-Butyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

AG003E17

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CAS Number	226085-17-2
Catalog Number	AG003E17(AGN-PC-03E5UB)
Chemical Name	tert-Butyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
IUPAC Name	tert-butyl 3-bromopyrrolo[2,3-b]pyridine-1-carboxylate
InChI	InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-7-9(13)8-5-4-6-14-10(8)15/h4-7H,1-3H3
InChI Key	LRMPSYYFDWATPN-UHFFFAOYSA-N
MDL Number	MFCD08689737
Molecular Formula	C12H13BrN2O2
Molecular Weight	297.1478
SMILES	BrC1=C[N](C2=NC=CC=C12)C(=O)OC(C)(C)C
Synonyms	226085-17-2, tert-Butyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, 1-Boc-3-bromo-7-azaindole, tert-butyl 3-bromopyrrolo[2,3-b]pyridine-1-carboxylate, AK-24127, W-206771, 3-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-PYRROLO[2,3-B]PYRIDINE, PubChem18267, SCHEMBL2675518, CTK4E9817, DTXSID40616689, tert-Butyl3-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, ABLOCK AB-13-5679, LRMPSYYFDWATPN-UHFFFAOYSA-N, KS-000003IC, ZINC8730226, ZX-AT018775, ANW-50256, MFCD08689737, AKOS005072593, CS-W001506, FA-0931, FCH1620127, OR12052, PB34312, QC-4430, RP07519, RTR-010627, TRA0011240, VP11767, ACM226085172, AJ-59097, BC004349, BR-24127, SY028414, AB0023556, AX8159575, TR-010627, 4CH-002846, AM20061767, FT-0648496, ST24031759, W4634, S-3601, MFCD08689737 (95+%), I02-3916, 3-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, 3-Bromopyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, 1H-Pyrrolo[2,3-b]pyridine-1-carboxylicacid, 3-bromo-, 1,1-dimethylethyl ester, C12H13BrN2O2, tert-Butyl 3-bromo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, 198976-43-1,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.016g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.152g/mol
Monoisotopic Mass	296.016g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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