AG007OR1

219552-64-4 | 1-BOC-6-nitroindole

AG007OR1

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CAS Number	219552-64-4
Catalog Number	AG007OR1(AGN-PC-03MNUV)
Chemical Name	1-BOC-6-nitroindole
IUPAC Name	tert-butyl 6-nitroindole-1-carboxylate
InChI	InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)14-7-6-9-4-5-10(15(17)18)8-11(9)14/h4-8H,1-3H3
InChI Key	MQRWVUYQAKQBPO-UHFFFAOYSA-N
MDL Number	MFCD18206164
Molecular Formula	C13H14N2O4
Molecular Weight	262.2613
SMILES	O=C(N1C=CC2=C1C=C([N+]([O-])=O)C=C2)OC(C)(C)C
Synonyms	tert-Butyl 6-nitro-1H-indole-1-carboxylate, 219552-64-4, 1-Boc-6-nitroindole, SCHEMBL1999002, CTK8B4222, DTXSID60623734, MQRWVUYQAKQBPO-UHFFFAOYSA-N, WT752, BCP12220, CS-M1315, ANW-44381, MFCD18206164, ZINC77032283, AKOS015999604, AK-51281, CJ-21937, DS-15802, AJ-122591, AX8216371, TC-133126, ST24025970, V4412, 6-Nitro-indole-1-carboxylic acid t-butyl ester, Q-9234, TERT-BUTYL 6-NITROINDOLE-1-CARBOXYLATE, 219552-64-4 tert-butyl 6-nitro-1H-indole-1-carboxylate, C13H14N2O4,

Complexity	372
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.095g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	262.265g/mol
Monoisotopic Mass	262.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number