AG003H7I

34136-59-9 | 2-Ethylbenzonitrile

AG003H7I

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CAS Number	34136-59-9
Catalog Number	AG003H7I(AGN-PC-0WBOD4)
Chemical Name	2-Ethylbenzonitrile
IUPAC Name	2-ethylbenzonitrile
InChI	InChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
InChI Key	UZDXATQPJOOHQJ-UHFFFAOYSA-N
MDL Number	MFCD00045597
Molecular Formula	C9H9N
Molecular Weight	131.1745
SMILES	N#CC1=CC=CC=C1CC
Synonyms	2-Ethylbenzonitrile, 34136-59-9, o-Ethylbenzonitrile, Benzonitrile, 2-ethyl-, UZDXATQPJOOHQJ-UHFFFAOYSA-N, ethylcyanobenzene, ACMC-20anwd, 2-Ethylbenzonitrile #, PubChem12591, AC1L3WLJ, AC1Q2STX, AC1Q4RHO, 2-ethylbenzenecarbonitrile, 2-Ethylbenzonitrile, 98%, SCHEMBL106062, CTK1C5556, ZINC2507889, 0896AE, MFCD00045597, AKOS009156939, MCULE-2578364558, DB-021044, TR-014188, FT-0639161, EN300-70518, Y-9353, A822091, J-019462, I01-13223, I14-10578, Z1259339780, C9H9N, AR-1E1509, CID123443, ZINC02507889, ACN-042505, 3532-41-0,

Complexity	142
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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number