AG004ME9

875664-36-1 | 1-Bromo-3-fluoro-2-methoxy-5-nitrobenzene

AG004ME9

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CAS Number	875664-36-1
Catalog Number	AG004ME9(AGN-PC-0VEUQL)
Chemical Name	1-Bromo-3-fluoro-2-methoxy-5-nitrobenzene
IUPAC Name	1-bromo-3-fluoro-2-methoxy-5-nitrobenzene
InChI	InChI=1S/C7H5BrFNO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3
InChI Key	FNJMNFQCIBHJBZ-UHFFFAOYSA-N
MDL Number	MFCD08062383
Molecular Formula	C7H5BrFNO3
Molecular Weight	250.0219
SMILES	O=[N+](C1=CC(F)=C(OC)C(Br)=C1)[O-]
Synonyms	1-bromo-3-fluoro-2-methoxy-5-nitrobenzene, 875664-36-1, 2-Bromo-6-fluoro-4-nitroanisole, ACMC-209qoe, SCHEMBL1612862, CTK5F8689, DTXSID70654736, FNJMNFQCIBHJBZ-UHFFFAOYSA-N, ZX-AP005231, ANW-38844, MFCD08062383, PC3628, SBB100677, ZINC12359162, AKOS015834851, FCH1325725, RTR-027527, AJ-61396, CJ-13874, 3-bromo-1-fluoro-2-methoxy-5-nitrobenzene, AX8072047, V8523, B-8326, Benzene,1-bromo-3-fluoro-2-methoxy-5-nitro-, 1-bromanyl-3-fluoranyl-2-methoxy-5-nitro-benzene, A842268, I01-10674, C7H5BrFNO3,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.944g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.023g/mol
Monoisotopic Mass	248.944g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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