AG00DADU

52570-33-9 | Methyl 3-iodo-2-methylbenzoate

AG00DADU

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CAS Number	52570-33-9
Catalog Number	AG00DADU(AGN-PC-0NKK4E)
Chemical Name	Methyl 3-iodo-2-methylbenzoate
IUPAC Name	methyl 3-iodo-2-methylbenzoate
InChI	InChI=1S/C9H9IO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,1-2H3
InChI Key	IPPPZCXGKFWQEC-UHFFFAOYSA-N
MDL Number	MFCD12923250
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	O=C(OC)C1=CC=CC(I)=C1C
Synonyms	METHYL 3-IODO-2-METHYLBENZOATE, 52570-33-9, 3-Iodo-2-methyl-benzoic acid methyl ester, ACMC-209l09, SCHEMBL1585766, CTK4J6112, KS-00000PTG, DTXSID00576432, IPPPZCXGKFWQEC-UHFFFAOYSA-N, ANW-31495, MFCD12923250, ZINC28278757, AKOS015853784, AS02324, 2-Methyl-3-iodobenzoic acid methyl ester, AJ-83442, AK-94556, AM803999, Benzoicacid,3-iodo-2-methyl-,methylester, CJ-17676, DS-17989, SY110403, TR-036975, CS-0036226, ST24025301, V6392, MFCD12923250 (95%), I01-11776, C9H9IO2, Methyl3-iodo-2-methylbenzoate,

Complexity	170
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	0
Isotope Atom Count	0
Molecular Weight	276.073g/mol
Monoisotopic Mass	275.965g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number