AG003LBY

25309-65-3 | 4-Ethylbenzonitrile

AG003LBY

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CAS Number	25309-65-3
Catalog Number	AG003LBY(AGN-PC-0JLZ5T)
Chemical Name	4-Ethylbenzonitrile
EC Number	246-811-5
IUPAC Name	4-ethylbenzonitrile
InChI	InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3
InChI Key	SXFFMFAQNAFSLF-UHFFFAOYSA-N
MDL Number	MFCD00016383
Molecular Formula	C9H9N
Molecular Weight	131.1745
SMILES	N#CC1=CC=C(CC)C=C1
Synonyms	4-Ethylbenzonitrile, 25309-65-3, Benzonitrile, 4-ethyl-, p-Ethylbenzonitrile, CHEMBL3358230, SXFFMFAQNAFSLF-UHFFFAOYSA-N, MFCD00016383, 4-ethylbenzenecarbonitrile, 1-cyano-4-ethylbenzene, EINECS 246-811-5, 4-ethyl-benzonitrile, ACMC-20amj0, AC1Q2TDT, AC1Q4REG, 4-Ethylbenzonitrile, 98%, AC1L3LZ7, SCHEMBL91062, CTK1A3881, DTXSID30179955, HMS1732O08, ZINC2565985, 2030AB, BDBM50037810, SBB059144, AKOS001115602, MCULE-7906543793, NE10768, VZ36758, KS-0000025M, AJ-41191, TC-168867, FT-0618405, ST51035515, EN300-13328, 309E653, J-015926, InChI=1/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H, C9H9N, C9-H9-N, CID91393, AR-1L0177, ACN-042503, 78431-42-2,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.073g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.178g/mol
Monoisotopic Mass	131.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number