AG000G11

115467-07-7 | Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethoxy)-

AG000G11

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CAS Number	115467-07-7
Catalog Number	AG000G11(AGN-PC-00474B)
Chemical Name	Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethoxy)-
EC Number	601-363-3
IUPAC Name	5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H2BrF5O/c8-3-1-4(9)6(5(10)2-3)14-7(11,12)13/h1-2H
InChI Key	ORHCJZZKAUAZDR-UHFFFAOYSA-N
MDL Number	MFCD03412225
Molecular Formula	C7H2BrF5O
Molecular Weight	276.9862
SMILES	FC1=C(C(=CC(=C1)Br)F)OC(F)(F)F
Synonyms	115467-07-7, 5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene, 3,5-DIFLUORO-4-(TRIFLUOROMETHOXY)BROMOBENZENE, AK102215, ACMC-1C5WW, SCHEMBL6558034, CTK4A9340, DTXSID50570203, ORHCJZZKAUAZDR-UHFFFAOYSA-N, ZINC2529898, ANW-16879, MFCD03412225, AKOS015888705, DS-3789, FCH1334978, KS-00000Q87, AJ-38466, AN-33226, PC408441, AX8233754, DB-060728, TC-105624, B5057, CS-0041212, FT-0717997, Z7709, 2,6-Difluoro-4-Bromo(trifluoromethoxy)benzene, A-2850, 1-Bromo-3,5-difluoro-4-(trifluoromethoxy)benzene, Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethoxy)-, Benzene,5-bromo-1,3-difluoro-2-(trifluoromethoxy)-, I01-11609, C7H2BrF5O, 4-Bromo-2,6-fluorotrifluoromethoxybenzene - 5G 5g,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.921g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.988g/mol
Monoisotopic Mass	275.921g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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