AG003E37

330794-02-0 | 1-bromo-2-fluoro-5-methoxy-4-nitrobenzene

AG003E37

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CAS Number	330794-02-0
Catalog Number	AG003E37(AGN-PC-03OEK8)
Chemical Name	1-bromo-2-fluoro-5-methoxy-4-nitrobenzene
IUPAC Name	1-bromo-2-fluoro-5-methoxy-4-nitrobenzene
InChI	InChI=1S/C7H5BrFNO3/c1-13-7-2-4(8)5(9)3-6(7)10(11)12/h2-3H,1H3
InChI Key	DBEXWIUEKLTMPE-UHFFFAOYSA-N
MDL Number	MFCD16658620
Molecular Formula	C7H5BrFNO3
Molecular Weight	250.0219
SMILES	O=[N+](C1=C(OC)C=C(Br)C(F)=C1)[O-]
Synonyms	1-BROMO-2-FLUORO-5-METHOXY-4-NITROBENZENE, 330794-02-0, 5-Bromo-4-fluoro-2-nitroanisole, Benzene, 1-bromo-2-fluoro-5-methoxy-4-nitro-, SCHEMBL310903, DTXSID00625090, DBEXWIUEKLTMPE-UHFFFAOYSA-N, KS-00000EO7, 5102AJ, MFCD16658620, ZINC79063947, AKOS024258129, FCH1346770, AK167033, CJ-21971, PC500181, SY025432, 5-bromo-4-fluoro-2-nitrophenyl methyl ether, Z-3642, MFCD16658620 (97+%), C7H5BrFNO3, CS-4162,

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

Lot Number