AG007K0W

29906-67-0 | 1-methyl-5-nitro-1H-indole

AG007K0W

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CAS Number	29906-67-0
Catalog Number	AG007K0W(AGN-PC-0JMVJK)
Chemical Name	1-methyl-5-nitro-1H-indole
IUPAC Name	1-methyl-5-nitroindole
InChI	InChI=1S/C9H8N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-6H,1H3
InChI Key	PXBQSCHRKSBGKV-UHFFFAOYSA-N
MDL Number	MFCD07772841
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	C2=CC1=C(C=CC(=C1)[N+]([O-])=O)[N]2C
Synonyms	1-Methyl-5-nitro-1H-indole, 29906-67-0, 1-methyl-5-nitroindole, 1H-Indole, 1-methyl-5-nitro-, 1-methyl-5-nitro-indole, AC1L3UX8, KSC496C7F, CHEMBL165528, SCHEMBL1098394, CTK3J6172, DTXSID50184021, PXBQSCHRKSBGKV-UHFFFAOYSA-N, ZINC4272216, ANW-52107, CM-490, MFCD07772841, AKOS006286587, AS07118, CS-W021357, MCULE-9309299736, ME-0069, QC-9731, RP10694, RTR-012930, WT82270, KS-00000J93, AJ-50033, AK-25728, BR-25728, CJ-11798, EN002821, SC-83915, AB0050935, AB1008090, DB-027436, TR-012930, 4CH-009830, FT-0687967, ST24027130, S-2455, 906M670, A820102, I10-0410, J-504971, null, methylnitroindole, C9-H8-N2-O2, CID147322, ZINC04272216, 1-Methyl-5-nitro-1H-indole, 97% - 1G 1g,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	50.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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