AG005T8H

99059-64-0 | 3-IODO-4-ISOPROPYLBENZOIC ACID

AG005T8H

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CAS Number	99059-64-0
Catalog Number	AG005T8H(AGN-PC-079RS9)
Chemical Name	3-IODO-4-ISOPROPYLBENZOIC ACID
IUPAC Name	3-iodo-4-propan-2-ylbenzoic acid
InChI	InChI=1S/C10H11IO2/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6H,1-2H3,(H,12,13)
InChI Key	YKYRHJJXCOILPA-UHFFFAOYSA-N
MDL Number	MFCD11110761
Molecular Formula	C10H11IO2
Molecular Weight	290.0976
SMILES	O=C(O)C1=CC=C(C(C)C)C(I)=C1
Synonyms	3-iodo-4-isopropylbenzoic acid, 99059-64-0, SCHEMBL2158791, 3-iodo-4-isopropyl-benzoic acid, CTK5I0194, DTXSID50660774, YKYRHJJXCOILPA-UHFFFAOYSA-N, 3-iodo-4-propan-2-ylbenzoic acid, 6937AC, MFCD11110761, ZINC39951737, 3-Iodo-4-(propan-2-yl)benzoic acid, AKOS015841721, 3-iodanyl-4-propan-2-yl-benzoic acid, FCH1402726, AK-93350, AJ-100819, AX8250445, Benzoic acid, 3-iodo-4-(1-methylethyl)-, DB-080572, ST2401855, TC-067067, 4CH-019477, FT-0653284, S-0084, A845950, I01-6097, 3-Iodo-4-isopropylbenzoicacid, C10H11IO2,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.98g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	290.1g/mol
Monoisotopic Mass	289.98g/mol
Rotatable Bond Count	2
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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