AG003LF6

4640-67-9 | 3-(4-Fluorophenyl)-3-oxopropanenitrile

AG003LF6

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CAS Number	4640-67-9
Catalog Number	AG003LF6(AGN-PC-0KL25V)
Chemical Name	3-(4-Fluorophenyl)-3-oxopropanenitrile
IUPAC Name	3-(4-fluorophenyl)-3-oxopropanenitrile
InChI	InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChI Key	LOJBBLDAJBJVBZ-UHFFFAOYSA-N
MDL Number	MFCD00662062
Molecular Formula	C9H6FNO
Molecular Weight	163.1484
SMILES	FC1=CC=C(C(=O)CC#N)C=C1
UNII	K1LTB8K2DH
Synonyms	4-Fluorobenzoylacetonitrile, 4640-67-9, 3-(4-fluorophenyl)-3-oxopropanenitrile, p-Fluorobenzoylacetonitrile, UNII-K1LTB8K2DH, 3-(4-fluorophenyl)-3-oxopropionitrile, K1LTB8K2DH, 3-(4-fluoro-phenyl)-3-oxo-propionitrile, Benzenepropanenitrile, 4-fluoro-beta-oxo-, 4-Fluorobenzoylacetonitrile, 97%, alpha-Cyano-4-fluoroacetophenone, Acetonitrile, (p-fluorobenzoyl)-, 3-Oxo-3-(4-fluorophenyl)propanenitrile, PubChem12048, 4-Fluorophenacyl cyanide, AC1MD3XB, AC1Q4LWB, AC1Q4LWC, ACMC-1AQZ6, 4-fluoro-benzoylacetonitrile, (p-fluorobenzoyl)acetonitrile, (4-Fluorobenzoyl)acetonitrile, 4-Fluoro Benzoyl Acetonitrile, SCHEMBL133680, CHEMBL3251049, CTK4I9358, TOS-BB-1135, DTXSID30382482, LOJBBLDAJBJVBZ-UHFFFAOYSA-N, HMS1741H18, BCP16716, CS-B0665, KS-000002JC, ZINC2566993, AM1017, ANW-53880, MFCD00662062, SBB022265, STK312286, AKOS000206981, AN-3543, AS04439, CF-1273, LS10157, MCULE-5058035615, PS-8749, TRA0057997, Benzenepropanenitrile,4-fluoro-beta-oxo-, 3-(4-fluorophenyl)-3-oxo-propanenitrile, 3-(4-Fluorophenyl)-3-oxopropanenitrile;, AC-24566, AJ-41342, AK-84420, BC226160, CJ-09770, SC-17086, SY023307, AB0002020, AB1008027, DB-013309, TC-142625, TL8003208, 4CH-007046, C3262, F0987, FT-0604212, ST24028302, ST45005130, EN300-14827, K-9077, MFCD00662062 (97+%), 640F679, I01-7464, Z108566720, 4-Fluorophenacyl cyanide; 4-Fluoro-|I-oxobenzenepropanenitrile; 3-Oxo-3-(4-fluorophenyl)propionitrile, C9H6FNO, ZINC02566993, ACN-036554, CID2783172, 4-Fluorobenzoylacetonitrile, 98% - 1G 1g, A7227,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.151g/mol
Monoisotopic Mass	163.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number