AG000SNQ

1263376-42-6 | Benzoic acid, 5-bromo-2-iodo-3-methyl-

AG000SNQ

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CAS Number	1263376-42-6
Catalog Number	AG000SNQ(AGN-PC-0WCZ6E)
Chemical Name	Benzoic acid, 5-bromo-2-iodo-3-methyl-
IUPAC Name	5-bromo-2-iodo-3-methylbenzoic acid
InChI	InChI=1S/C8H6BrIO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	KTXSGSFUMHDBCD-UHFFFAOYSA-N
MDL Number	MFCD18379817
Molecular Formula	C8H6BrIO2
Molecular Weight	340.9405
SMILES	c1c(cc(c(c1C(=O)O)I)C)Br
Synonyms	5-Bromo-2-iodo-3-methylbenzoic acid, 1263376-42-6, SCHEMBL15058235, ZINC67800120, AKOS017552439, Benzoic acid, 5-bromo-2-iodo-3-methyl-,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	339.85959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	340.94g/mol
Monoisotopic Mass	339.85959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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