AG00ECMN

586-22-1 | 3-Fluoro-4-methoxypropiophenone

AG00ECMN

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CAS Number	586-22-1
Catalog Number	AG00ECMN(AGN-PC-0JP2B1)
Chemical Name	3-Fluoro-4-methoxypropiophenone
EC Number	611-720-5
IUPAC Name	1-(3-fluoro-4-methoxyphenyl)propan-1-one
InChI	InChI=1S/C10H11FO2/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6H,3H2,1-2H3
InChI Key	SQXQCZIODUUTAD-UHFFFAOYSA-N
MDL Number	MFCD01814881
Molecular Formula	C10H11FO2
Molecular Weight	182.1915
NSC Number	123876
SMILES	CCC(C1=CC=C(OC)C(F)=C1)=O
Synonyms	1-(3-fluoro-4-methoxyphenyl)propan-1-one, 586-22-1, 3'-Fluoro-4'-methoxypropiophenone, 3-fluoro-4-methoxypropiophenone, NSC123876, AC1L5JHU, 1-Propanone, 1-(3-fluoro-4-methoxyphenyl)-, Bionet2_000494, AC1Q4NC5, SCHEMBL2845183, CTK5A8610, DTXSID00298526, OTAVA-BB 1500609, SQXQCZIODUUTAD-UHFFFAOYSA-N, HMS1365G10, KS-00000NM0, ZINC1405432, 8702AB, MFCD01814881, SBB089899, AKOS000346065, AS03898, MCULE-9118689729, NSC-123876, AJ-25707, AK116127, 1-Propanone,1-(3-fluoro-4-methoxyphenyl)-, 1-(3-FLUORO-4-METHOXYPHENYL)-1-PROPANONE, 12N-239, C10H11FO2, KST-1B5975, AR-1B1470, CID276284, 5909-37-5,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.194g/mol
Monoisotopic Mass	182.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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