AG000RO0

1261216-28-7 | Benzene, 5-bromo-2-chloro-1-fluoro-3-methoxy-

AG000RO0

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CAS Number	1261216-28-7
Catalog Number	AG000RO0(AGN-PC-0WANJC)
Chemical Name	Benzene, 5-bromo-2-chloro-1-fluoro-3-methoxy-
IUPAC Name	5-bromo-2-chloro-1-fluoro-3-methoxybenzene
InChI	InChI=1S/C7H5BrClFO/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3H,1H3
InChI Key	LWXJTVPIAGWACZ-UHFFFAOYSA-N
MDL Number	MFCD28142798
Molecular Formula	C7H5BrClFO
Molecular Weight	239.4694
SMILES	COC1=C(Cl)C(F)=CC(Br)=C1
Synonyms	5-bromo-2-chloro-1-fluoro-3-methoxybenzene, 1261216-28-7, AK167259, SCHEMBL935576, KS-00000SVN, MFCD28142798, AKOS024108458, ZINC114876110, DS-9455, FCH2905804, CS-0061959, Benzene, 5-bromo-2-chloro-1-fluoro-3-methoxy-,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.92g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.468g/mol
Monoisotopic Mass	237.92g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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