AG003H0J

75279-55-9 | 2-Chloro-6-fluorophenylacetonitrile

AG003H0J

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CAS Number	75279-55-9
Catalog Number	AG003H0J(AGN-PC-0JLOJF)
Chemical Name	2-Chloro-6-fluorophenylacetonitrile
EC Number	278-171-8
IUPAC Name	2-(2-chloro-6-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChI Key	ZGSAFMIRVLOISC-UHFFFAOYSA-N
MDL Number	MFCD00001900
Molecular Formula	C8H5ClFN
Molecular Weight	169.5834
SMILES	C1=C(C(=C(C=C1)Cl)CC#N)F
Synonyms	2-Chloro-6-fluorophenylacetonitrile, 75279-55-9, 2-Chloro-6-fluorobenzyl cyanide, 2-(2-chloro-6-fluorophenyl)acetonitrile, Benzeneacetonitrile, 2-chloro-6-fluoro-, ZGSAFMIRVLOISC-UHFFFAOYSA-N, MFCD00001900, (2-chloro-6-fluorophenyl)acetonitrile, 2-(6-chloro-2-fluorophenyl)ethanenitrile, EINECS 278-171-8, 2-Chloro-6-fluorobenzeneacetonitrile, PubChem10416, ACMC-209oxp, AC1L3WWD, AC1Q4MSC, KSC494E1D, SCHEMBL958644, 2-chloro-6-fluorobenzylcyanide, CTK3J4211, KS-00000EHC, DTXSID90226252, ZINC157249, ACT12872, JRD-1092, 2-Chloro-6-fluorophenyl acetonitrile, ANW-36587, BBL019818, SBB058430, STL195582, 2-Chloro-6-Fluoro Phenylacetonitrile, AKOS000119581, AF10019, AN-1994, CS-W017714, MCULE-8146355439, QC-7564, RTC-010849, TRA0040385, (2-chloro-6-fluoro-phenyl)-acetonitrile, 2-(2-fluoro-6-chlorophenyl)acetonitrile, AC-24899, AJ-14964, AK-29503, BR-29503, CJ-01625, DS-11144, L242, SC-78350, SY016929, ZB006618, 2-(2-chloro-6-fluoro-phenyl)acetonitrile, 2-Chloro-6-fluorophenylacetonitrile, 98%, AB0014606, DB-020884, TC-010849, A9599, AM20050269, FT-0611865, ST24027939, ST50406507, 2-(2-CHLORO-6-FLUOROPHENYL)ACETONITRLE, M-5624, MFCD00001900 (97+%), W-104396, InChI=1/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H, C8H5ClFN, C8-H5-Cl-F-N, c1127, CID123575, ZINC00157249, ACN-055729,

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	H300-H311-H331-H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P261-P280-P305+P351+P338-P280h-P309-P310
UN Code	\N

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