AG003DYZ

52407-43-9 | 1-Benzofuran-3-ylacetonitrile

AG003DYZ

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CAS Number	52407-43-9
Catalog Number	AG003DYZ(AGN-PC-00PZ33)
Chemical Name	1-Benzofuran-3-ylacetonitrile
IUPAC Name	2-(1-benzofuran-3-yl)acetonitrile
InChI	InChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChI Key	BJAJKVZABJZXDC-UHFFFAOYSA-N
MDL Number	MFCD02183555
Molecular Formula	C10H7NO
Molecular Weight	157.1687
SMILES	N#CCC1=COC2=C1C=CC=C2
Synonyms	1-benzofuran-3-ylacetonitrile, 52407-43-9, 3-Benzo[b]furylacetonitrile, Benzofuran-3-acetonitrile, 2-(benzofuran-3-yl)acetonitrile, 2-(3-benzofuranyl)acetonitrile, benzo[b]furan-3-acetonitrile, 2-(1-benzofuran-3-yl)acetonitrile, MFCD02183555, 2-benzo[b]furan-3-ylethanenitrile, PubChem7006, AC1MCGYN, 3-Benzofuranylacetonitrile, ACMC-1AZ5Y, 3-Cyanomethylbenzo[b]furan, SCHEMBL274259, Benzofuran-3-acetonitrile, 95%, DTXSID70377711, BJAJKVZABJZXDC-UHFFFAOYSA-N, ZINC2578096, 2-(1-benzofuran-3-yl)ethanenitrile, ANW-56278, SBB067623, AKOS005255003, FCH1119453, MCULE-7242052261, RP01949, ACM52407439, AJ-42732, AN-41008, SY045623, AX8012612, TR-018594, FT-0622683, ST50824631, Y9333, MFCD02183555 (98%), X-4145, 407B439, A829061, C-03675, J-506224, 3-Benzofuranacetonitrile, C10H7NO, ZINC02578096, CID2769401,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	157.172g/mol
Monoisotopic Mass	157.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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