AG00305K

304445-49-6 | Ethanone, 1-(4-bromo-3-fluorophenyl)-

AG00305K

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CAS Number	304445-49-6
Catalog Number	AG00305K(AGN-PC-0R5SP7)
Chemical Name	Ethanone, 1-(4-bromo-3-fluorophenyl)-
IUPAC Name	1-(4-bromo-3-fluorophenyl)ethanone
InChI	InChI=1S/C8H6BrFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChI Key	VCTWSAITPPCBHI-UHFFFAOYSA-N
MDL Number	MFCD00466241
Molecular Formula	C8H6BrFO
Molecular Weight	217.0350
SMILES	BrC1=C(C=C(C=C1)C(C)=O)F
Synonyms	304445-49-6, 1-(4-BroMo-3-fluorophenyl)ethanone, 3-Fluoro-4-bromo-acetophenone, 4'-Bromo-3'-fluoroacetophenone, 1-(4-bromo-3-fluorophenyl)ethan-1-one, 4-Bromo-3-fluoroacetophenone, 4-BROMO-3-FLUORO-ACETOPHENONE, MFCD00466241, 3-Fluoro-4-bromoacetophenone, KSC915O9P, SCHEMBL333891, CTK8B5797, KS-00000NLU, DTXSID40628540, VCTWSAITPPCBHI-UHFFFAOYSA-N, ACT09701, ZINC3165534, ANW-50141, BBL101149, CL8665, STL554945, AKOS005257157, AM62532, AS05111, CM11146, CS-W005607, MCULE-3678287911, QC-7699, RTC-030282, 1-(4-Bromo-3-fluoro-phenyl)-ethanone, Ethanone, 1-(4-bromo-3-fluorophenyl)-, AC-28639, AJ-44678, AK-34604, AS-18279, BC005182, BC219905, BR-34604, CJ-10606, SC-32523, AB0024087, 4CH-006211, FT-0600228, ST24032662, W5285, S-3517, Z1443588517, C8H6BrFO,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.037g/mol
Monoisotopic Mass	215.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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