AG005O2U

80141-93-1 | Benzeneacetonitrile, 4-fluoro-2-methyl- (9CI)

AG005O2U

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CAS Number	80141-93-1
Catalog Number	AG005O2U(AGN-PC-0L18QM)
Chemical Name	Benzeneacetonitrile, 4-fluoro-2-methyl- (9CI)
IUPAC Name	2-(4-fluoro-2-methylphenyl)acetonitrile
InChI	InChI=1S/C9H8FN/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6H,4H2,1H3
InChI Key	VHULROKXGBQUDA-UHFFFAOYSA-N
MDL Number	MFCD04115882
Molecular Formula	C9H8FN
Molecular Weight	149.1649
SMILES	N#CCC1=CC=C(F)C=C1C
Synonyms	2-(4-fluoro-2-methylphenyl)acetonitrile, 80141-93-1, 4-Fluoro-2-methylphenylacetonitrile, 4-Fluoro-2-methylbenzyl cyanide, MFCD04115882, AC1MZ1AS, SCHEMBL2286658, CTK5E7511, DTXSID60397584, VHULROKXGBQUDA-UHFFFAOYSA-N, JRD-1386, ZINC2527805, 4-fluoro-2-methylbenzeneacetonitrile, CK1016, SBB086636, (4-fluoro-2-methylphenyl)acetonitrile, AKOS005257553, JS-4253, MCULE-5622287897, NE38959, QC-2454, KS-000011D6, 2-(4-fluoro-2-methylphenyl)ethanenitrile, AJ-38156, SC-61418, AB0034263, 4CH-022068, FT-0723069, ST24039439, X8385, Z1723549416, C9H8FN, CID3865469, 2-(4-fluoro-2-methyl-phenyl)acetonitrile, Benzeneacetonitrile, 4-fluoro-2-methyl- (9CI),

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	H301+H311+H331-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

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