AG003MGL

32246-20-1 | 5-Bromo-2,4-dimethoxybenzoic acid

AG003MGL

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CAS Number	32246-20-1
Catalog Number	AG003MGL(AGN-PC-00MU4G)
Chemical Name	5-Bromo-2,4-dimethoxybenzoic acid
IUPAC Name	5-bromo-2,4-dimethoxybenzoic acid
InChI	InChI=1S/C9H9BrO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key	WOPJFSQYDOHZMK-UHFFFAOYSA-N
MDL Number	MFCD05865172
Molecular Formula	C9H9BrO4
Molecular Weight	261.0694
SMILES	O=C(O)C1=CC(Br)=C(OC)C=C1OC
Synonyms	5-Bromo-2,4-dimethoxybenzoic acid, 32246-20-1, 5-BROMO-2 4-DIMETHOXYBENZOIC ACID, MFCD05865172, ACMC-20am5v, SCHEMBL1918763, CTK8C5834, DTXSID70542487, WOPJFSQYDOHZMK-UHFFFAOYSA-N, 2,4-dimethoxy-5-bromobenzoic acid, BCP11285, ZINC2563916, 2,4-dimethoxy-5-bromo-benzoic acid, 5-bromo-2,4-dimethoxy-benzoic acid, AKOS000112211, 5-bromanyl-2,4-dimethoxy-benzoic acid, TRA0161432, 5-Bromo-2 4-dimethoxybenzoic acid 97, Benzoic acid, 5-bromo-2,4-dimethoxy-, AC-23683, AJ-40972, AS-48261, SC-86918, SY039787, 5-Bromo-2,4-dimethoxybenzoic acid, 97%, DB-068608, TC-168394, B5192, FT-0654255, ST24044395, MFCD05865172 (97%), 246B201, A821209, I01-7292, J-018684, 5-Bromo-2,4-dimethoxybenzoicacid, ACN-031332,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.968g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.071g/mol
Monoisotopic Mass	259.968g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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