AG003MMN

75279-54-8 | 5-Chloro-2-fluorophenylacetonitrile

AG003MMN

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CAS Number	75279-54-8
Catalog Number	AG003MMN(AGN-PC-0KKVN5)
Chemical Name	5-Chloro-2-fluorophenylacetonitrile
IUPAC Name	2-(5-chloro-2-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H5ClFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2
InChI Key	QGPGNOMDUNQMJY-UHFFFAOYSA-N
MDL Number	MFCD01631438
Molecular Formula	C8H5ClFN
Molecular Weight	169.5834
SMILES	FC1=C(CC#N)C=C(Cl)C=C1
Synonyms	5-Chloro-2-fluorophenylacetonitrile, 75279-54-8, 5-chloro-2-fluorobenzyl cyanide, 2-(5-chloro-2-fluorophenyl)acetonitrile, 5-Chloro-2-fluorobenzylcyanide, Benzeneacetonitrile, 5-chloro-2-fluoro-, 2-(5-chloro-2-fluoro-phenyl)acetonitrile, 2-(5-chloro-2-fluorophenyl)ethanenitrile, PubChem4304, AC1MCND6, SCHEMBL836823, CTK5E1367, DTXSID80378673, QGPGNOMDUNQMJY-UHFFFAOYSA-N, ACT12798, JRD-1146, ZINC2382088, ANW-74668, BBL103138, CK1019, MFCD01631438, SBB064487, STL556948, (5-chloro-2-fluorophenyl)acetonitrile, AKOS005063940, AC-9786, AF10002, AM61635, AN-2142, AS01960, Benzeneacetonitrile,5-chloro-2-fluoro-, CC-1177, MCULE-9160594460, RL04868, (5-Chloro-2-fluorophenyl) acetonitrile, AJ-34743, AK-36296, DS-12900, 2-FLUORO-5-CHLOROPHENYLACETONITRILE, AB0030456, DB-000372, ST2418713, TC-010856, A9598, FT-0658545, ST51041477, X2654, Y-9339, 279C548, I01-4959, J-517303, C8H5ClFN, 2,5-Difluorophenylacetonitrile, ZINC02382088, CID2773726,

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-H312-H332
Packing Group
Precautionary statements	P280
UN Code

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