AG003IS7

105515-20-6 | 1-(3-Bromo-5-fluorophenyl)ethanone

AG003IS7

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CAS Number	105515-20-6
Catalog Number	AG003IS7(AGN-PC-00NQUS)
Chemical Name	1-(3-Bromo-5-fluorophenyl)ethanone
IUPAC Name	1-(3-bromo-5-fluorophenyl)ethanone
InChI	InChI=1S/C8H6BrFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChI Key	MZDXPUDHZBCYGS-UHFFFAOYSA-N
MDL Number	MFCD11847746
Molecular Formula	C8H6BrFO
Molecular Weight	217.0350
SMILES	CC(C1=CC(F)=CC(Br)=C1)=O
Synonyms	1-(3-BROMO-5-FLUOROPHENYL)ETHANONE, 105515-20-6, 3'-BROMO-5'-FLUOROACETOPHENONE, 1-(3-BROMO-5-FLUOROPHENYL)ETHAN-1-ONE, Ethanone, 1-(3-bromo-5-fluorophenyl)-, MFCD11847746, PubChem22227, SCHEMBL1764905, CTK8C2019, DTXSID10547830, MZDXPUDHZBCYGS-UHFFFAOYSA-N, 3-BROMO-5-FLUOROACETOPHENONE, ANW-67633, ZINC34135852, AKOS015152210, AB64734, QC-3362, TRA0089024, 1-(3-bromo-5-fluoro-phenyl)-ethanone, KS-00000C46, AJ-87122, AK-85829, BC004772, CJ-18201, DA-18215, DS-18113, SC-29398, SY018857, AB0060359, TC-156378, CS-0060849, FT-0725080, Z6809, K-0501, MFCD11847746 (97+%), 3 inverted exclamation mark -Bromo-5 inverted exclamation mark -fluoroacetophenone, 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	H315-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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