AG006X3I

499238-36-7 | 2-Bromo-1,3-difluoro-5-(trifluoromethyl)benzene

AG006X3I

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CAS Number	499238-36-7
Catalog Number	AG006X3I(AGN-PC-0S5D6Z)
Chemical Name	2-Bromo-1,3-difluoro-5-(trifluoromethyl)benzene
IUPAC Name	2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7H2BrF5/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
InChI Key	MJDJSTBBLBVDDK-UHFFFAOYSA-N
MDL Number	MFCD03093034
Molecular Formula	C7H2BrF5
Molecular Weight	260.9868
SMILES	FC(C1=CC(F)=C(Br)C(F)=C1)(F)F
Synonyms	499238-36-7, 4-Bromo-3,5-difluorobenzotrifluoride, 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene, 2,6-Difluoro-4-(trifluoromethyl)bromobenzene, AC1MCUI8, SCHEMBL19899621, CTK4J1822, DTXSID30381218, ZINC2598088, ZX-AP000637, 4308AE, MFCD03093034, PC0321, SBB102369, AKOS015853357, FCH1320511, RTR-017897, VZ28501, AJ-43778, CC-18294, PS-10115, SC-58371, AX8010115, TR-017897, FT-0644757, K-9253, 4-Bromo-alpha,alpha,alpha,3,5-pentafluorotoluene, A827897, C-16283, I01-14970, 2-bromanyl-1,3-bis(fluoranyl)-5-(trifluoromethyl)benzene, C7H2BrF5, CID2778983,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.926g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.989g/mol
Monoisotopic Mass	259.926g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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