AG003JG7

404-90-0 | 3-Fluoro-4-methoxylphenylacetonitrile

AG003JG7

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CAS Number	404-90-0
Catalog Number	AG003JG7(AGN-PC-0JMOQR)
Chemical Name	3-Fluoro-4-methoxylphenylacetonitrile
IUPAC Name	2-(3-fluoro-4-methoxyphenyl)acetonitrile
InChI	InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChI Key	OFCMGCZEFVKTAN-UHFFFAOYSA-N
MDL Number	MFCD00040889
Molecular Formula	C9H8FNO
Molecular Weight	165.1643
SMILES	C1=C(C=CC(=C1F)OC)CC#N
Synonyms	404-90-0, 3-Fluoro-4-methoxyphenylacetonitrile, 3-Fluoro-4-methoxybenzyl cyanide, 3-Fluoro-4-methoxylphenylacetonitrile, 2-(3-fluoro-4-methoxyphenyl)acetonitrile, 3-Fluoro-4-methoxybenzylcyanide, (3-fluoro-4-methoxyphenyl)acetonitrile, OFCMGCZEFVKTAN-UHFFFAOYSA-N, MFCD00040889, Benzeneacetonitrile, 3-fluoro-4-methoxy-, 3-Fluoro-4-methoxylacetonitrile, ACMC-1AHK8, KSC494S2H, SCHEMBL988906, AC1Q45L4, AC1Q45L5, CTK3J4923, KS-00000EIE, 4-(Cyanomethyl)-2-fluoroanisole, DTXSID80193404, OTAVA-BB 1780049, AC1L3839, ACN-S004027, ACT00809, ZINC2390021, SBB079121, WT1763, 3-Fluoro-4-methoxybenzeneacetonitrile, AKOS001107572, AS01729, CS-W021918, FS-1544, MCULE-7721241747, RTR-016169, TRA0091093, VZ26818, AJ-35648, AK-39815, AN-44795, BC210982, BR-39815, CJ-08365, DA-18008, SC-65630, SY018256, 2-(3-fluoro-4-methoxyphenyl)ethanenitrile, 2-(3-fluoro-4-methoxy-phenyl)acetonitrile, AB0030019, ST2410689, TR-016169, AM20061071, FT-0688107, X2198, 404-90-0 3-fluoro-4-methoxybenzyl cyanide, EN300-14147, A24142, S-2394, MFCD00040889 (97+%), I01-8658, I01-18717, Z96091881, C9H8FNO, CID136251, ZINC02390021,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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