AG00784Y

17100-65-1 | Methyl 2-bromo-4-methoxybenzoate

AG00784Y

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CAS Number	17100-65-1
Catalog Number	AG00784Y(AGN-PC-0WAE55)
Chemical Name	Methyl 2-bromo-4-methoxybenzoate
IUPAC Name	methyl 2-bromo-4-methoxybenzoate
InChI	InChI=1S/C9H9BrO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3
InChI Key	MGIYCRUAYQQSNL-UHFFFAOYSA-N
MDL Number	MFCD12026001
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	COC(=O)C1=C(Br)C=C(OC)C=C1
Synonyms	Methyl 2-Bromo-4-methoxybenzoate, 17100-65-1, METHYL2-BROMO-4-METHOXYBENZOATE, ACMC-209e29, SCHEMBL2305885, CTK4D3789, KS-00000ZIF, DTXSID70568369, MGIYCRUAYQQSNL-UHFFFAOYSA-N, ANW-22495, ZINC34469287, AKOS015834900, CS-W022802, FS-2233, RP28679, AC-28546, AJ-88751, AK-41153, CJ-18388, SY101881, 2-Bromo-4-methoxybenzoic acid methyl ester, TR-007512, 2-Bromo-4-methoxy-benzoic acid methyl ester, FT-0687150, ST24047686, V3754, MFCD12026001 (95%), B-2377, J-521959, I01-10714, C9H9BrO3,

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	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number