AG003EXO

2436-15-9 | (5-Benzyloxyindol-3-yl)acetonitrile

AG003EXO

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CAS Number	2436-15-9
Catalog Number	AG003EXO(AGN-PC-0JNQPJ)
Chemical Name	(5-Benzyloxyindol-3-yl)acetonitrile
IUPAC Name	2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile
InChI	InChI=1S/C17H14N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8,12H2
InChI Key	ADPRFNVFBYHCJQ-UHFFFAOYSA-N
MDL Number	MFCD00022730
Molecular Formula	C17H14N2O
Molecular Weight	262.3059
NSC Number	73391
SMILES	N#CCC1=CNC2=C1C=C(OCC3=CC=CC=C3)C=C2
Synonyms	2436-15-9, 5-BENZYLOXYINDOLE-3-ACETONITRILE, 2-(5-(benzyloxy)-1H-indol-3-yl)acetonitrile, 5-BENZOLOXY-3-INDOLEACETONITRILE, [5-(benzyloxy)-1h-indol-3-yl]acetonitrile, 5-Benzyloxy-3-indoleacetonitrile, 5-Benzyloxy-3-Indolylacetonitrile, 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile, 5-(Benzyloxy)-3-(cyanomethyl)-1H-indole, B-1800, 2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile, NSC73391, PubChem20626, (5-Benzyloxy-1H-indol-3-yl)-acetonitrile, AC1L5LCH, AC1Q4S1Q, AC1Q4S5N, Oprea1_143940, SCHEMBL273476, Jsp004873, 5-Benyloxyindole-3-Acetonitrile, CHEMBL1288718, 5-benzyloxyindole-3-acelonitrile, CTK4F3479, ZINC26956, ADPRFNVFBYHCJQ-UHFFFAOYSA-N, ACT03567, ZX-AT022138, (5-Benzyloxyindol-3-yl)acetonitrile, ANW-47469, CB-199, MFCD00022730, NSC-73391, SBB067120, AKOS005259236, ACM2436159, OR13727, TRA0095483, VI30254, 5-(Benzyloxy)-1H-indole-3-acetonitrile, (5-benzyloxyindol-3-yl)acetonitrile 97%, AC-27786, AJ-08455, AN-50901, AS-31059, BR-34314, ZB000808, (5-Benzyloxyindol-3-yl)acetonitrile, 97%, AX8008850, ST2403984, TC-060659, 2-(5-benzyloxy-1H-indol-3-yl)acetonitrile, FT-0620048, 1H-Indole-3-acetonitrile,5-(phenylmethoxy)-, 2-[5-(phenylmethoxy)indol-3-yl]ethanenitrile, 1H-Indole-3-acetonitrile, 5-(phenylmethoxy)-, S-7061, 436B159, I14-1306, F2167-1307, o-Chloranil, Phthaloyl-DL-isoglutamine, N-Phthaloyl-DL-isoglutamine, C17H14N2O, KST-1A3442, AR-1A9135, CID252139, N-(o-Carboxybenzoyl)-DL-isoglutamine, C13-H14-N2-O6, 3,4,5,6-Tetrachloro-1,2-benzoquinone, Phthalamic acid, N-(1-carbamoyl-3-carboxypropyl)-, DL-, 2820-44-2, Benzoic acid, 2-(((1-(aminocarbonyl)-3-carboxypropyl)amino)carbonyl)-, (+-)-, Benzoic acid, 2-[[[1-(aminocarbonyl)-3-carboxypropyl]amino]carbonyl]-, (.+.)-,

Complexity	355
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.111g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.312g/mol
Monoisotopic Mass	262.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	48.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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