AG003IL2

67973-32-4 | 3,5-Dibromo-4-methylbenzoic acid

AG003IL2

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CAS Number	67973-32-4
Catalog Number	AG003IL2(AGN-PC-0JUPII)
Chemical Name	3,5-Dibromo-4-methylbenzoic acid
IUPAC Name	3,5-dibromo-4-methylbenzoic acid
InChI	InChI=1S/C8H6Br2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key	SJCBUASMFSRONS-UHFFFAOYSA-N
MDL Number	MFCD00017544
Molecular Formula	C8H6Br2O2
Molecular Weight	293.9400
SMILES	CC1=C(Br)C=C(C=C1Br)C(O)=O
Synonyms	3,5-dibromo-4-methylbenzoic acid, 67973-32-4, 3,5-Dibromo-p-toluic acid, MFCD00017544, Benzoic acid, 3,5-dibromo-4-methyl-, 3,5-dibromo-4-methyl-benzoic Acid, PubChem3897, AC1LDNN6, SCHEMBL1071876, CTK5C7043, TIMTEC-BB SBB001202, ZINC31312, DTXSID70350004, SJCBUASMFSRONS-UHFFFAOYSA-N, ZERENEX E/9072915, ACT12207, 0473AC, BBL023595, SBB001202, STL120556, Benzoic acid,3,5-dibromo-4-methyl-, AKOS003307282, AS03572, MCULE-9892990328, PS-7163, VZ25700, NCGC00325337-01, AC-26035, AJ-08522, BC002654, ST018696, AB0068543, DB-022005, ST2417264, BB 0246907, FT-0614518, T8105, KS-00001132, A20278, AB01319763-02, AE-848/00890001, I01-5490, C8H6Br2O2, 3,5-Dibromo-4-methylbenzoicacid, CID670475, ACN-056584,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.871g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	293.942g/mol
Monoisotopic Mass	291.873g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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

Lot Number