AG001EP8

1472104-49-6 | Benzoic acid, 4-bromo-2-fluoro-6-methoxy-

AG001EP8

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CAS Number	1472104-49-6
Catalog Number	AG001EP8(AGN-PC-0WAH1D)
Chemical Name	Benzoic acid, 4-bromo-2-fluoro-6-methoxy-
IUPAC Name	4-bromo-2-fluoro-6-methoxybenzoic acid
InChI	InChI=1S/C8H6BrFO3/c1-13-6-3-4(9)2-5(10)7(6)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	HURPNPSJCSOLOZ-UHFFFAOYSA-N
MDL Number	MFCD22570393
Molecular Formula	C8H6BrFO3
Molecular Weight	249.0338
SMILES	c1(c(c(cc(c1)Br)F)C(=O)O)OC
Synonyms	4-Bromo-2-fluoro-6-methoxybenzoic acid, 1472104-49-6, AK150960, SCHEMBL15328324, HURPNPSJCSOLOZ-UHFFFAOYSA-N, KS-00000S9P, MFCD22570393, ZINC98179669, AKOS022190232, FCH2304954, 4-bromo-2-fluoro-6-methoxy-benzoic acid, AJ-140776, AX8276633, Benzoic acid, 4-bromo-2-fluoro-6-methoxy-, ST24043383, 2-Bromo-6-fluoro-4-methoxybenzoic acid,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.948g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.035g/mol
Monoisotopic Mass	247.948g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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