AG001IPN

1439904-14-9 | 1-Bromo-2,5-difluoro-4-(trifluoromethoxy)benzene

AG001IPN

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CAS Number	1439904-14-9
Catalog Number	AG001IPN(AGN-PC-0WD6Y3)
Chemical Name	1-Bromo-2,5-difluoro-4-(trifluoromethoxy)benzene
IUPAC Name	1-bromo-2,5-difluoro-4-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H2BrF5O/c8-3-1-5(10)6(2-4(3)9)14-7(11,12)13/h1-2H
InChI Key	VZGIQFLXELBTGP-UHFFFAOYSA-N
MDL Number	MFCD25458130
Molecular Formula	C7H2BrF5O
Molecular Weight	276.9862
SMILES	FC(F)(F)OC1=C(F)C=C(Br)C(F)=C1
Synonyms	1-Bromo-2,5-difluoro-4-(trifluoromethoxy)benzene, 1439904-14-9, AK167274, KS-00000SVU, MFCD25458130, ZINC91675768, DS-9465, FCH2376921, SY128831, 4-Bromo-2,5-difluoro-trifluoromethoxybenzene, MFCD25458130 (95%),

Complexity	197
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

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