AG005YZJ

742081-03-4 | 5-Iodo-2,4-dimethylbenzoic acid

AG005YZJ

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CAS Number	742081-03-4
Catalog Number	AG005YZJ(AGN-PC-0WD1A8)
Chemical Name	5-Iodo-2,4-dimethylbenzoic acid
IUPAC Name	5-iodo-2,4-dimethylbenzoic acid
InChI	InChI=1S/C9H9IO2/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key	VBULVYTZMDVWSK-UHFFFAOYSA-N
MDL Number	MFCD12547504
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	O=C(O)C1=CC(I)=C(C)C=C1C
Synonyms	5-iodo-2,4-dimethylbenzoic acid, 742081-03-4, SCHEMBL2848157, CTK8C6786, DTXSID30630516, VBULVYTZMDVWSK-UHFFFAOYSA-N, 1531AC, MFCD12547504, ZINC44560047, 5-iodanyl-2,4-dimethyl-benzoic acid, AKOS015842411, AB0000796, AJ-109806, DB-058125, ST2401915, TC-067369, 4CH-019460, FT-0654650, S-1097, A838061, A1-02700, I14-5075, Z1945984214, C9H9IO2, 5-Iodo-2,4-dimethylbenzoicacid,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.965g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.073g/mol
Monoisotopic Mass	275.965g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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

Lot Number