AG000BLU

1160936-52-6 | Ethanone, 1-(5-bromo-3-fluoro-2-pyridinyl)-

AG000BLU

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CAS Number	1160936-52-6
Catalog Number	AG000BLU(AGN-PC-086G4D)
Chemical Name	Ethanone, 1-(5-bromo-3-fluoro-2-pyridinyl)-
IUPAC Name	1-(5-bromo-3-fluoropyridin-2-yl)ethanone
InChI	InChI=1S/C7H5BrFNO/c1-4(11)7-6(9)2-5(8)3-10-7/h2-3H,1H3
InChI Key	UJKOXVSYARTOMX-UHFFFAOYSA-N
MDL Number	MFCD13689180
Molecular Formula	C7H5BrFNO
Molecular Weight	218.0231
SMILES	CC(C1=NC=C(Br)C=C1F)=O
Synonyms	1-(5-Bromo-3-fluoropyridin-2-yl)ethanone, 1160936-52-6, 1-(5-Bromo-3-fluoropyridin-2-yl)ethan-1-one, AC1Q1K05, SCHEMBL10081962, CTK4A9626, DTXSID70678396, MFCD13689180, ZINC66054256, AKOS015834434, AS-42194, CJ-21229, DA-18749, TR-034149, FT-0681930, Z7758, A-6059, Ethanone, 1-(5-bromo-3-fluoro-2-pyridinyl)-, I14-26171, 1-(5-Bromo-3-fluoropyridin-2-yl)ethanone, AldrichCPR, C7H5BrFNO,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.954g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.025g/mol
Monoisotopic Mass	216.954g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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