AG002FPY

192189-16-5 | 1-Boc-3-bromo-5-azaindole

AG002FPY

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CAS Number	192189-16-5
Catalog Number	AG002FPY(AGN-PC-0QL287)
Chemical Name	1-Boc-3-bromo-5-azaindole
IUPAC Name	tert-butyl 3-bromopyrrolo[3,2-c]pyridine-1-carboxylate
InChI	InChI=1S/C12H13BrN2O2/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	CDJLRWSJPXZDKY-UHFFFAOYSA-N
MDL Number	MFCD16877631
Molecular Formula	C12H13BrN2O2
Molecular Weight	297.1478
SMILES	O=C(N1C=C(Br)C2=C1C=CN=C2)OC(C)(C)C
Synonyms	192189-16-5, tert-Butyl 3-bromo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, 1-BOC-3-BROMO-5-AZAINDOLE, AK147733, n-boc-3-bromo-5-azaindole, SCHEMBL1710746, DTXSID10725515, CDJLRWSJPXZDKY-UHFFFAOYSA-N, KS-000003IT, MFCD16877631, ZINC95627663, AKOS022187731, DS-8790, FCH1622029, PB27047, AJ-133027, AX8285142, C-8017, tert-butyl 3-bromopyrrolo[3,2-c]pyridine-1-carboxylate, 1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester,

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	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

Certificate of Analysis

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