AG003RXG

1131587-94-4 | Methyl 5-bromo-4-methoxy-2-methylbenzoate

AG003RXG

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CAS Number	1131587-94-4
Catalog Number	AG003RXG(AGN-PC-0WAM0J)
Chemical Name	Methyl 5-bromo-4-methoxy-2-methylbenzoate
IUPAC Name	methyl 5-bromo-4-methoxy-2-methylbenzoate
InChI	InChI=1S/C10H11BrO3/c1-6-4-9(13-2)8(11)5-7(6)10(12)14-3/h4-5H,1-3H3
InChI Key	HDWIBWADMXRCQE-UHFFFAOYSA-N
MDL Number	MFCD11112987
Molecular Formula	C10H11BrO3
Molecular Weight	259.0965
SMILES	COC(=O)C1=C(C)C=C(OC)C(Br)=C1
Synonyms	methyl 5-bromo-4-methoxy-2-methylbenzoate, 1131587-94-4, AK-87538, SCHEMBL18920679, CTK8C1063, DTXSID30661007, KS-000001KN, ANW-65809, CL9031, MFCD11112987, ZINC39951725, AKOS015852022, AM83177, AS07024, CM12525, FCH1402890, AS-19922, SC-49151, AB0043826, AJ-100809, AX8236714, DB-060328, TC-067054, CS-0061241, FT-0654817, Z1786, methyl 5-bromanyl-4-methoxy-2-methyl-benzoate, X-3239, A802805, 5-bromo-4-methoxy-2-methylbenzoic acid methyl ester, I14-5464, C10H11BrO3, Methyl5-bromo-4-methoxy-2-methylbenzoate,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.989g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.099g/mol
Monoisotopic Mass	257.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^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