AG003E36

1352244-77-9 | 1-Bromo-2-fluoro-4-methoxy-5-nitrobenzene

AG003E36

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CAS Number	1352244-77-9
Catalog Number	AG003E36(AGN-PC-09RO70)
Chemical Name	1-Bromo-2-fluoro-4-methoxy-5-nitrobenzene
IUPAC Name	1-bromo-2-fluoro-4-methoxy-5-nitrobenzene
InChI	InChI=1S/C7H5BrFNO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3
InChI Key	DHSGXAGGBXJPEL-UHFFFAOYSA-N
MDL Number	MFCD11847609
Molecular Formula	C7H5BrFNO3
Molecular Weight	250.0219
SMILES	COC1=CC(F)=C(Br)C=C1[N+]([O-])=O
Synonyms	1-BROMO-2-FLUORO-4-METHOXY-5-NITROBENZENE, 1352244-77-9, 2-nitro-4-bromo-5-fluoroanisole, SCHEMBL12491675, 4-Bromo-5-fluoro-2-nitroanisole, DHSGXAGGBXJPEL-UHFFFAOYSA-N, KS-00000L8L, MFCD11847609, ZINC96900067, AKOS024257979, TRA0077827, AK300546, CJ-22792, DS-11669, SC-32755, CS-0041445,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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