AG00DBQI

518070-26-3 | 2-(2-Fluoro-4-methylphenyl)acetonitrile

AG00DBQI

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CAS Number	518070-26-3
Catalog Number	AG00DBQI(AGN-PC-0SBD7V)
Chemical Name	2-(2-Fluoro-4-methylphenyl)acetonitrile
IUPAC Name	2-(2-fluoro-4-methylphenyl)acetonitrile
InChI	InChI=1S/C9H8FN/c1-7-2-3-8(4-5-11)9(10)6-7/h2-3,6H,4H2,1H3
InChI Key	CYKIAFUFMNTJCA-UHFFFAOYSA-N
MDL Number	MFCD03094328
Molecular Formula	C9H8FN
Molecular Weight	149.1649
SMILES	N#CCC1=CC=C(C)C=C1F
Synonyms	518070-26-3, 2-Fluoro-4-methylphenylacetonitrile, 2-(2-fluoro-4-methylphenyl)acetonitrile, Benzeneacetonitrile, 2-fluoro-4-methyl- (9CI), AK-35439, PubChem4171, AC1MCTDS, SCHEMBL2779759, CTK4J4911, KS-00000FOZ, DTXSID30380963, ACT12848, JRD-1375, ZINC2243232, ZX-AP008867, 2- Fluoro-4-methylphenylacetonitrile, 7259AB, MFCD03094328, PC5937, SBB064682, AKOS015890202, Benzeneacetonitrile,2-fluoro-4-methyl-, FCH1116472, 2-(2-fluoro-4-methylphenyl)ethanenitrile, AC-26160, ACM518070263, AJ-34257, DS-12662, SC-60202, AX8115465, FT-0654009, ST24039194, A21992, I01-5440, C9H8FN, CID2778477, 2-(2-fluoro-4-methyl-phenyl)acetonitrile,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	149.168g/mol
Monoisotopic Mass	149.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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 2810

Certificate of Analysis

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