AG0001XV

1004112-67-7 | Benzene, 1-bromo-3-chloro-5-(difluoromethoxy)-

AG0001XV

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CAS Number	1004112-67-7
Catalog Number	AG0001XV(AGN-PC-0WBR8E)
Chemical Name	Benzene, 1-bromo-3-chloro-5-(difluoromethoxy)-
EC Number	600-092-8
IUPAC Name	1-bromo-3-chloro-5-(difluoromethoxy)benzene
InChI	InChI=1S/C7H4BrClF2O/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3,7H
InChI Key	IVRGKKXJURVLGX-UHFFFAOYSA-N
MDL Number	MFCD18390894
Molecular Formula	C7H4BrClF2O
Molecular Weight	257.4599
SMILES	FC(F)OC1=CC(Cl)=CC(Br)=C1
Synonyms	1-Bromo-3-chloro-5-(difluoromethoxy)benzene, 1004112-67-7, ACMC-2097pz, SCHEMBL14000645, CTK8A8973, DTXSID80716490, ANW-14277, MFCD18390894, ZINC74937873, AKOS015888451, 3-Bromo-5-(difluoromethoxy)chlorobenzene, AS-43962, AJ-121481, TC-103022, 3-bromo-5-chloro-1-(difluoromehtoxy)benzene, ST24021255, Z6271, B-6221, Benzene, 1-bromo-3-chloro-5-(difluoromethoxy)-, I01-11042, C7H4BrClF2O,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.91g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.459g/mol
Monoisotopic Mass	255.91g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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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