AG003JG3

331-62-4 | 3-Fluoro-4-methoxybenzonitrile

AG003JG3

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CAS Number	331-62-4
Catalog Number	AG003JG3(AGN-PC-0KKW8G)
Chemical Name	3-Fluoro-4-methoxybenzonitrile
IUPAC Name	3-fluoro-4-methoxybenzonitrile
InChI	InChI=1S/C8H6FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key	FEEOVAOEPGQDTJ-UHFFFAOYSA-N
MDL Number	MFCD00215835
Molecular Formula	C8H6FNO
Molecular Weight	151.1377
SMILES	N#CC1=CC=C(OC)C(F)=C1
Synonyms	3-Fluoro-4-methoxybenzonitrile, 331-62-4, 2-fluoro-4-cyanoanisole, 4-Cyano-2-fluoroanisole, 3-fluoro-4-methoxy-benzonitrile, Benzonitrile, 3-fluoro-4-methoxy-, MFCD00215835, 3-fluoro-4-methoxybenzenecarbonitrile, AC1MCOLW, PubChem18462, ACMC-209hys, 3-Fluoro-4-methoxybenzonitile, SCHEMBL313099, 3-fluoro-4-methoxy benzonitrile, 4-methoxy-3-fluoro benzonitrile, CTK3J7625, KS-00000EGZ, DTXSID90379095, FEEOVAOEPGQDTJ-UHFFFAOYSA-N, OTAVA-BB 1779270, ACN-S004015, JRD-1512, ZINC1504246, ANW-27554, SBB063645, STL195602, 3-Fluoro-4-methoxybenzonitrile, 97%, AKOS005254215, AB04880, AM61475, AS03741, CM13083, CS-W002524, MCULE-3897413891, PF10669, PS-6574, RTR-013894, TRA0020868, 3-fluoranyl-4-methoxy-benzenecarbonitrile, AJ-26417, AK-78685, AN-44350, BR-78685, CJ-05118, CJ-23736, SC-76247, SY016460, AB0031259, AB1010821, DB-028885, TL8002502, TR-013894, F0671, FT-0085024, FT-0631969, ST24028519, X4275, C-5152, 21465-EP2314295A1, MFCD00215835 (97+%), A821639, I01-2388, J-019045, C8H6FNO, 4-Fluoro-3-methoxybenzonitrile, ZINC01504246, CID2774548, A1646,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.14g/mol
Monoisotopic Mass	151.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^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-H312-H319-H332
Packing Group	Ⅲ
Precautionary statements	P280-P310-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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