AG0018LD

138343-77-8 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 1,1-dimethylethyl ester

AG0018LD

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CAS Number	138343-77-8
Catalog Number	AG0018LD(AGN-PC-03BTCV)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl pyrrolo[2,3-b]pyridine-1-carboxylate
InChI	InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-8-6-9-5-4-7-13-10(9)14/h4-8H,1-3H3
InChI Key	SGZMGGUBXZBVPJ-UHFFFAOYSA-N
MDL Number	MFCD08272245
Molecular Formula	C12H14N2O2
Molecular Weight	218.2518
SMILES	O=C(N1C=CC2=CC=CN=C21)OC(C)(C)C
Synonyms	1-BOC-7-AZAINDOLE, 138343-77-8, tert-Butyl 1H-pyrrolo[2,3-b]pyridine-1-carboxylate, N-Boc-7-azaindole, tert-butyl pyrrolo[2,3-b]pyridine-1-carboxylate, 1-(tert-Butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridine, J-504377, PubChem18265, 1-N-Boc-7-azaindole, ACMC-1BY14, N-Boc-7-azaindole, 95%, 1-boc-7-azaindole, 98+%, 1-t-butoxycarbonyl-7-azaindole, SCHEMBL8877952, CTK4C1211, DTXSID90614438, SGZMGGUBXZBVPJ-UHFFFAOYSA-N, 1-(tert-Butoxycarbonyl)-7-azaindole, ANW-20456, MFCD08272245, ZINC14984929, AKOS005135888, CB-3936, FCH1619540, PB17499, RP27120, RTR-005075, 1-BOC-PYRROLO[2,3-B]PYRIDINE, AJ-66267, AN-31833, AS-50555, CJ-14813, AX8018212, DB-004328, TR-005075, CS-0053793, FT-0645802, V2866, 7-Azaindole-1-carboxylic acid tert-butyl ester, B-3362, 343B778, A807376, I14-41293, 1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester, 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 1,1-dimethylethyl ester, 1H-Pyrrolo[2,3-b]pyridine-1-carboxylicacid, 1,1-dimethylethyl ester, 1-(tert-butoxycarbonyl)-7-azaindole, 1-(tert-butoxycarbonyl)-1h-pyrrolo[2,3-b]pyridine, C12H14N2O2, N-Boc-7-azaindole, 95% - 1G 1g, 64051-79-2,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.106g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.256g/mol
Monoisotopic Mass	218.106g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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