AG003L8V

56326-98-8 | 1-(4-Fluorophenyl)-4-oxocyclohexane-1-carbonitrile

AG003L8V

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CAS Number	56326-98-8
Catalog Number	AG003L8V(AGN-PC-0JLZCA)
Chemical Name	1-(4-Fluorophenyl)-4-oxocyclohexane-1-carbonitrile
EC Number	260-111-7
IUPAC Name	1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile
InChI	InChI=1S/C13H12FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4H,5-8H2
InChI Key	FNWWTNNFZGBMEM-UHFFFAOYSA-N
MDL Number	MFCD00044815
Molecular Formula	C13H12FNO
Molecular Weight	217.2389
SMILES	Fc1ccc(cc1)C2(CCC(=O)CC2)C#N
Synonyms	56326-98-8, 4-Cyano-4-(4-fluorophenyl)cyclohexanone, 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile, 1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile, MFCD00044815, Cyclohexanecarbonitrile, 1-(4-fluorophenyl)-4-oxo-, EINECS 260-111-7, AC1L3MUJ, AC1Q4NON, ACMC-1B1X4, DSSTox_CID_31566, DSSTox_RID_97451, DSSTox_GSID_57777, SCHEMBL1559063, CHEMBL3561226, DTXSID3057777, CTK3J6471, KS-00000BZN, FNWWTNNFZGBMEM-UHFFFAOYSA-N, ZINC6092782, ZX-RL000478, Tox21_113828, ANW-48571, CC0110, 4-cyano-4-p-fluorophenylcyclohexanone, AKOS015888170, CS-W002220, MCULE-4726191594, RL04128, RTX-013186, SS-3591, TRA0043256, 4-Cyano-4-(4-flurophenyl)cyclohexanone, 4-cyano-4-(p-fluorophenyl)cyclohexanone, NCGC00253708-01, (4-Cyano-4-(4-flurophenyl)cyclohexanone, AC-22735, AJ-55741, AK-78894, AM804050, BC215323, BR-78894, CJ-12901, PC200019, SY003803, AX8096583, CAS-56326-98-8, ST2403208, FT-0640374, W7005, MFCD00044815 (97+%), 1-(4-Fluoro-phenyl)-4-oxo-cyclohexanecarbonitrile, C-49971, SR-01000945062, J-515225, SR-01000945062-1, I01-10049, C13H12FNO, 4-CYANO-4- CYCLOHEXANONE, KST-1B5824, C13-H12-F-N-O, CID91805, AR-1B2071, S-6000, 578-72-3,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.243g/mol
Monoisotopic Mass	217.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P301+P312+P330
UN Code	UN 3439

Certificate of Analysis

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