AG002RLG

260806-90-4 | Benzoic acid, 3-bromo-2-methoxy-, methyl ester

AG002RLG

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CAS Number	260806-90-4
Catalog Number	AG002RLG(AGN-PC-07QVAO)
Chemical Name	Benzoic acid, 3-bromo-2-methoxy-, methyl ester
IUPAC Name	methyl 3-bromo-2-methoxybenzoate
InChI	InChI=1S/C9H9BrO3/c1-12-8-6(9(11)13-2)4-3-5-7(8)10/h3-5H,1-2H3
InChI Key	YMRGVTKIFLNUFC-UHFFFAOYSA-N
MDL Number	MFCD11042778
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	COC(=O)C1=C(OC)C(Br)=CC=C1
Synonyms	Methyl 3-bromo-2-methoxybenzoate, 260806-90-4, AK100685, SCHEMBL184184, CTK8C3375, DTXSID40673196, YMRGVTKIFLNUFC-UHFFFAOYSA-N, KS-00002X1F, ANW-70015, MFCD11042778, ZINC47202237, AKOS016001762, FCH1401663, FS-3625, MP-1129, AJ-110605, AX8241612, TC-158760, 3-bromo-2-methoxy-benzoic acid methyl ester, 4CH-012222, FT-0714067, ST24025278, Z4513, Benzoic acid, 3-bromo-2-methoxy-, methyl ester, C9H9BrO3, Methyl3-bromo-2-methoxybenzoate,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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