AG000XG4

127842-55-1 | Ethanone, 1-[2-(difluoromethoxy)phenyl]-

AG000XG4

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CAS Number	127842-55-1
Catalog Number	AG000XG4(AGN-PC-0KBPDO)
Chemical Name	Ethanone, 1-[2-(difluoromethoxy)phenyl]-
IUPAC Name	1-[2-(difluoromethoxy)phenyl]ethanone
InChI	InChI=1S/C9H8F2O2/c1-6(12)7-4-2-3-5-8(7)13-9(10)11/h2-5,9H,1H3
InChI Key	GSIJRMUIVJNUGP-UHFFFAOYSA-N
MDL Number	MFCD00236219
Molecular Formula	C9H8F2O2
Molecular Weight	186.1554
SMILES	CC(C1=CC=CC=C1OC(F)F)=O
Synonyms	127842-55-1, 1-(2-(Difluoromethoxy)phenyl)ethanone, 2'-(Difluoromethoxy)acetophenone, 1-[2-(difluoromethoxy)phenyl]ethanone, 1-[2-(Difluoromethoxy)phenyl]ethan-1-one, Ethanone,1-[2-(difluoromethoxy)phenyl]-, Ethanone, 1-[2-(difluoromethoxy)phenyl]-, ACMC-20mslz, SCHEMBL1286684, CTK4B5753, DTXSID00366239, GSIJRMUIVJNUGP-UHFFFAOYSA-N, AC1M1463, ZINC2560123, 1-acetyl-2-(difluoromethoxy)benzene, MFCD00236219, SBB038425, AKOS000115378, JS-4112, MCULE-9777354658, AJ-40459, SC-52170, 1-[2-[bis(fluoranyl)methoxy]phenyl]ethanone, CS-0037493, FT-0608775, ST24037044, A805754, A1-02926, Z55671925, ZINC02560123, CID2063346,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.158g/mol
Monoisotopic Mass	186.049g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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