AG00233V

181806-67-7 | 5-Bromo-2-(difluoromethoxy)-1,3-difluorobenzene

AG00233V

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CAS Number	181806-67-7
Catalog Number	AG00233V(AGN-PC-0WBR9L)
Chemical Name	5-Bromo-2-(difluoromethoxy)-1,3-difluorobenzene
IUPAC Name	5-bromo-2-(difluoromethoxy)-1,3-difluorobenzene
InChI	InChI=1S/C7H3BrF4O/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2,7H
InChI Key	ZZIBINAQRAEVEO-UHFFFAOYSA-N
MDL Number	MFCD17012938
Molecular Formula	C7H3BrF4O
Molecular Weight	258.9957
SMILES	FC(F)OC1=C(F)C=C(Br)C=C1F
Synonyms	5-Bromo-2-(difluoromethoxy)-1,3-difluorobenzene, 181806-67-7, 4-BROMO-2,6-DIFLUORO-1-DIFLUOROMETHOXYBENZENE, ACMC-209eid, SCHEMBL6684943, CTK8B1044, DTXSID20627753, ZZIBINAQRAEVEO-UHFFFAOYSA-N, ANW-23075, CL8606, MFCD17012938, ZINC66309408, AKOS015999507, FCH1351690, AK-93638, AS-46058, AJ-115847, AX8231019, TC-111820, ST24023899, V3918, B-7517, 4-Bromo-2,6-difluoro-1-(difluoromethoxy)benzene, Benzene, 5-bromo-2-(difluoromethoxy)-1,3-difluoro-, C7H3BrF4O, 3,5-Difluoro-4-difluoromethoxy-1-bromo-benzene,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.93g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.998g/mol
Monoisotopic Mass	257.93g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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