AG00ELCH

617706-15-7 | 1-(5-Bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-one

AG00ELCH

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CAS Number	617706-15-7
Catalog Number	AG00ELCH(AGN-PC-007Q0C)
Chemical Name	1-(5-Bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-one
IUPAC Name	1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C8H3BrF4O/c9-4-1-2-6(10)5(3-4)7(14)8(11,12)13/h1-3H
InChI Key	DBEXLGFRBKOYBI-UHFFFAOYSA-N
MDL Number	MFCD12547807
Molecular Formula	C8H3BrF4O
Molecular Weight	271.0064
SMILES	FC(F)(F)C(C1=CC(Br)=CC=C1F)=O
Synonyms	1-(5-Bromo-2-fluorophenyl)-2,2,2-trifluoroethanone, 617706-15-7, 1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-one, SCHEMBL2966997, 1-(5-bromo-2-fluoro-phenyl)-2,2,2-trifluoro-ethanone, DTXSID20463830, DBEXLGFRBKOYBI-UHFFFAOYSA-N, 9264AB, MFCD12547807, AKOS016000692, ZINC100020647, AS-48426, alpha,alpha,alpha,2'-Tetrafluoro-5'-bromoacetophenone, C8H3BrF4O, CID11369266,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.93g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.009g/mol
Monoisotopic Mass	269.93g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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