AG003ABX

935288-20-3 | 1-bromo-4-fluoro-2-methoxy-5-nitrobenzene

AG003ABX

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CAS Number	935288-20-3
Catalog Number	AG003ABX(AGN-PC-0I7E0Y)
Chemical Name	1-bromo-4-fluoro-2-methoxy-5-nitrobenzene
IUPAC Name	1-bromo-4-fluoro-2-methoxy-5-nitrobenzene
InChI	InChI=1S/C7H5BrFNO3/c1-13-7-3-5(9)6(10(11)12)2-4(7)8/h2-3H,1H3
InChI Key	GTIYDLQTZFEZEA-UHFFFAOYSA-N
MDL Number	MFCD25969224
Molecular Formula	C7H5BrFNO3
Molecular Weight	250.0219
SMILES	O=[N+](C1=C(F)C=C(OC)C(Br)=C1)[O-]
Synonyms	1-bromo-4-fluoro-2-methoxy-5-nitrobenzene, 935288-20-3, 2-bromo-5-fluoro-4-nitroanisole, AK174147, SCHEMBL4306952, GTIYDLQTZFEZEA-UHFFFAOYSA-N, KS-00000T3F, MFCD25969224, ZINC98213432, AKOS025396385, DS-8608, FCH2418361, 1-Bromo-4-fluoro-2-methoxy-5-nitrobenzene, 98% - 1G 1g,

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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