AG002ODN

24507-28-6 | Methyl 3-bromo-4-ethoxybenzoate

AG002ODN

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CAS Number	24507-28-6
Catalog Number	AG002ODN(AGN-PC-0WAE5A)
Chemical Name	Methyl 3-bromo-4-ethoxybenzoate
IUPAC Name	methyl 3-bromo-4-ethoxybenzoate
InChI	InChI=1S/C10H11BrO3/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2/h4-6H,3H2,1-2H3
InChI Key	NCJZJVWOEXLSKA-UHFFFAOYSA-N
MDL Number	MFCD06801000
Molecular Formula	C10H11BrO3
Molecular Weight	259.0965
SMILES	O=C(OC)C1=CC=C(OCC)C(Br)=C1
Synonyms	METHYL 3-BROMO-4-ETHOXYBENZOATE, 24507-28-6, SCHEMBL6601501, CTK4F3815, DTXSID50661084, methyl 3-bromanyl-4-ethoxy-benzoate, ZINC39951883, AKOS005288875, SC-90229, 3-bromo-4-ethoxybenzoic acid methyl ester, AB0000200, AJ-100963, ST2401995, TC-067224, 4CH-019506, CS-0061638, FT-0658632, Benzoic acid, 3-bromo-4-ethoxy-, methyl ester, S-0155, A817343, I14-5555, METHYL3-BROMO-4-ETHOXYBENZOATE,

Complexity	196
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	4
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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