AG001QCK

15861-23-1 | 1H-Indole-5-carbonitrile, 2,3-dihydro-

AG001QCK

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CAS Number	15861-23-1
Catalog Number	AG001QCK(AGN-PC-03HJBL)
Chemical Name	1H-Indole-5-carbonitrile, 2,3-dihydro-
IUPAC Name	2,3-dihydro-1H-indole-5-carbonitrile
InChI	InChI=1S/C9H8N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,11H,3-4H2
InChI Key	KBNWGVBBEPQFIZ-UHFFFAOYSA-N
MDL Number	MFCD07371626
Molecular Formula	C9H8N2
Molecular Weight	144.1732
SMILES	N#CC1=CC2=C(NCC2)C=C1
Synonyms	Indoline-5-carbonitrile, 15861-23-1, 5-INDOLINECARBONITRILE, 5-CYANO-2,3-DIHYDRO-1H-INDOLE, 2,3-DIHYDRO-1H-INDOLE-5-CARBONITRILE, 5-CYANOINDOLINE, 1H-Indole-5-carbonitrile, 2,3-dihydro-, 1H-Indole-5-carbonitrile,2,3-dihydro-, SCHEMBL288540, CTK4C9753, DTXSID80619891, KBNWGVBBEPQFIZ-UHFFFAOYSA-N, MFCD07371626, ZINC26894093, AKOS006229553, CS-W006534, MB04564, QC-9773, RP20931, TRA0032455, AC-27794, AJ-82761, AK-31453, AS-31300, CJ-17535, SY007689, AB0061323, DB-064233, TC-307914, BB 0254990, FT-0646822, Z3208, Z-4028, MFCD07371626 (97+%), Q-102587, Z2327883859, C9H8N2, Indoline-5-carbonitrile, 97% - 1G 1g, 61079-72-9,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.069g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.177g/mol
Monoisotopic Mass	144.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

Lot Number