AG003E5A

661463-13-4 | 1-Bromo-5-fluoro-4-methoxy-2-nitrobenzene

AG003E5A

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CAS Number	661463-13-4
Catalog Number	AG003E5A(AGN-PC-01NFZ3)
Chemical Name	1-Bromo-5-fluoro-4-methoxy-2-nitrobenzene
IUPAC Name	1-bromo-5-fluoro-4-methoxy-2-nitrobenzene
InChI	InChI=1S/C7H5BrFNO3/c1-13-7-3-6(10(11)12)4(8)2-5(7)9/h2-3H,1H3
InChI Key	BSSKDKZDQARXEH-UHFFFAOYSA-N
MDL Number	MFCD11100974
Molecular Formula	C7H5BrFNO3
Molecular Weight	250.0219
SMILES	O=[N+](C1=CC(OC)=C(F)C=C1Br)[O-]
Synonyms	1-Bromo-5-fluoro-4-methoxy-2-nitrobenzene, 661463-13-4, 4-Bromo-2-fluoro-5-nitroanisole, Benzene, 1-bromo-5-fluoro-4-methoxy-2-nitro-, AK-84817, SCHEMBL3273374, CTK8B4856, DTXSID50591857, BSSKDKZDQARXEH-UHFFFAOYSA-N, ANW-46539, MFCD11100974, ZINC77028229, AKOS015998729, FCH1402350, TRA0063996, KS-000000Y5, 2-Bromo-4-fluoro-5-methoxy-nitrobenzene, AC-28606, AS-18488, CJ-21903, PC500241, AB0026121, AJ-122407, AX8226540, TC-135284, 1-bromo-5-fluoro-4-methoxy-2-nitro-benzene, 4-bromo-2-fluoro-5-nitrophenyl methyl ether, 4CH-011481, CS-0041446, ST24021279, W7717, W-4324, 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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