AG00AQPP

194490-25-0 | 5-(Benzyloxy)-1H-indole-3-carbonitrile

AG00AQPP

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CAS Number	194490-25-0
Catalog Number	AG00AQPP(AGN-PC-00A70W)
Chemical Name	5-(Benzyloxy)-1H-indole-3-carbonitrile
IUPAC Name	5-phenylmethoxy-1H-indole-3-carbonitrile
InChI	InChI=1S/C16H12N2O/c17-9-13-10-18-16-7-6-14(8-15(13)16)19-11-12-4-2-1-3-5-12/h1-8,10,18H,11H2
InChI Key	SRDVYVLUUTYYSA-UHFFFAOYSA-N
MDL Number	MFCD13193421
Molecular Formula	C16H12N2O
Molecular Weight	248.2793
SMILES	N#CC1=CNC2=C1C=C(OCC3=CC=CC=C3)C=C2
Synonyms	5-(benzyloxy)-1H-indole-3-carbonitrile, 194490-25-0, AK-31044, 1H-Indole-3-carbonitrile, 5-(phenylmethoxy)-, 5-phenylmethoxy-1H-indole-3-carbonitrile, SCHEMBL5857843, KS-00000RYK, DTXSID90467522, MFCD13193421, ZINC84858901, AKOS022175889, FCH2811433, DS-11640, AJ-126365, AX8280330, CID11492517,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.095g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.285g/mol
Monoisotopic Mass	248.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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