AG007HBN

34136-57-7 | 3-Ethylbenzonitrile

AG007HBN

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CAS Number	34136-57-7
Catalog Number	AG007HBN(AGN-PC-0JM22E)
Chemical Name	3-Ethylbenzonitrile
IUPAC Name	3-ethylbenzonitrile
InChI	InChI=1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2H2,1H3
InChI Key	WEDBHNMGFLTQNC-UHFFFAOYSA-N
MDL Number	MFCD00045601
Molecular Formula	C9H9N
Molecular Weight	131.1745
NSC Number	86573
SMILES	N#CC1=CC=CC(CC)=C1
UNII	920IKI3200
Synonyms	3-Ethylbenzonitrile, 34136-57-7, Benzonitrile, 3-ethyl-, m-Ethylbenzonitrile, UNII-920IKI3200, 3-ethylbenzenecarbonitrile, WEDBHNMGFLTQNC-UHFFFAOYSA-N, 920IKI3200, 3-Aethylbenzonitril, NSC86573, NSC 86573, 3-Ethyl-benzonitrile, PubChem5432, 3-Ethylbenzonitrile #, 1-Cyano-3-ethylbenzene, AC1Q4RGZ, m-ETHYL BENZONITRILE, AC1L3X0F, NCIOpen2_001143, SCHEMBL126485, CTK1C5522, KS-00000FRQ, DTXSID90187718, ZINC1556219, ANW-46712, MFCD00045601, NSC-86573, SBB064665, AKOS006227625, AS05846, CM13064, DS-1818, MP-0722, VZ26773, AJ-26968, AK-81888, BC676392, CJ-05324, CJ-24451, SC-03603, DB-006427, TC-135457, 4CH-007087, FT-0639160, ST24028508, W5564, 136E577, I01-5393, C9H9N, C9-H9-N, CID96692, AR-1F3173, ACN-042504, 3532-40-9,

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	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number