AG006VZX

501008-41-9 | 2-Methoxy-5-fluorobenzyl cyanide

AG006VZX

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CAS Number	501008-41-9
Catalog Number	AG006VZX(AGN-PC-0S69H8)
Chemical Name	2-Methoxy-5-fluorobenzyl cyanide
IUPAC Name	2-(5-fluoro-2-methoxyphenyl)acetonitrile
InChI	InChI=1S/C9H8FNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3
InChI Key	BHJFTJPFOVONOM-UHFFFAOYSA-N
MDL Number	MFCD00671773
Molecular Formula	C9H8FNO
Molecular Weight	165.1643
NSC Number	190369
SMILES	FC1=CC=C(OC)C(CC#N)=C1
Synonyms	501008-41-9, 2-Methoxy-5-fluorobenzyl cyanide, 2-(5-fluoro-2-methoxyphenyl)acetonitrile, 5-FLUORO-2-METHOXYPHENYLACETONITRILE, Benzeneacetonitrile,5-fluoro-2-methoxy-, MFCD00671773, 5-FLUORO-2-METHOXYBENZYL CYANIDE, NSC190369, SCHEMBL2990425, CTK4J2137, DTXSID50307213, BHJFTJPFOVONOM-UHFFFAOYSA-N, OTAVA-BB 1780050, AC1L7127, ZINC1732075, SBB087891, 5-Fluoro-2-methoxybenzeneacetonitrile, AKOS006282982, (5-fluoro-2-methoxyphenyl)acetonitrile, AS02336, NSC-190369, AS-45856, CJ-29459, SC-26068, 2-(5-fluoro-2-methoxyphenyl)ethanenitrile, 2-(5-fluoranyl-2-methoxy-phenyl)ethanenitrile, A827976, Z2785965528, 2-Methoxy-5-fluorobenzylcyanide, CID302685,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.167g/mol
Monoisotopic Mass	165.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3439

Certificate of Analysis

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