AG002QO4

251570-03-3 | Benzeneacetonitrile, 4-chloro-3-fluoro-

AG002QO4

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CAS Number	251570-03-3
Catalog Number	AG002QO4(AGN-PC-0L0B0N)
Chemical Name	Benzeneacetonitrile, 4-chloro-3-fluoro-
IUPAC Name	2-(4-chloro-3-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI Key	IDBYHCGSWMSFLY-UHFFFAOYSA-N
MDL Number	MFCD04115860
Molecular Formula	C8H5ClFN
Molecular Weight	169.5834
SMILES	N#CCC1=CC=C(Cl)C(F)=C1
Synonyms	251570-03-3, 4-Chloro-3-fluorophenylacetonitrile, 2-(4-chloro-3-fluorophenyl)acetonitrile, (4-Chloro-3-fluoro-phenyl)-acetonitrile, 3-Fluoro-4-chlorobenzyl cyanide, 4-chloro-3-fluorobenzyl cyanide, Benzeneacetonitrile, 4-chloro-3-fluoro-, 3-fluoro-4-chlorobenzylcyanide, 4-chloro-3-fluorobenzylcyanide, 3-fluoro-4-chloro phenylacetonitrile, 4-Chloro-3-fluorophhenylacetonitrile, 2-(4-chloro-3-fluorophenyl)ethanenitrile, 4-CHLORO-3-FLUOROBENZENEACETONITRILE, PubChem4299, AC1MWSK7, Intermediates-ZCF02678, KSC497I9P, SCHEMBL192429, 3-fluoro-4-chloro-benzylcyanide, CTK3J7497, DTXSID60396673, IDBYHCGSWMSFLY-UHFFFAOYSA-N, ACT00812, EBD18890, JRD-1340, ZINC2527783, ANW-48211, BBL101932, MFCD04115860, SBB064383, STL555729, (4-chloro-3-fluorophenyl)acetonitrile, AKOS005254425, AC-9784, AM61410, AS01959, CC-1176, CM13674, GS-3649, TF10240, TRA0046777, VZ35084, AJ-38151, AK-34355, BC210977, BR-34355, CJ-08991, SY023166, 4 - Chloro - 3 - fluorophenylacetonitrile, AB0023715, DB-016496, RT-003879, 4CH-009791, FT-0656509, ST24027541, W4837, MFCD04115860 (95%), S-1892, 570F033, I01-4741, 3-Fluoro-4-chlorobenzyl cyanide; 4-chloro-3-fluorobenzyl cyanide; (4-chloro-3-fluoro-phenyl)-acetonitrile; (4-chloro-3-fluorophenyl)acetonitrile; benzeneacetonitrile, 4-chloro-3-fluoro-, -acetonitrile, C8H5ClFN, CID3804414, 2-(4-chloro-3-fluoro-phenyl)acetonitrile, A1611,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.583g/mol
Monoisotopic Mass	169.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number