AG00DBAV

55289-16-2 | methyl 6-bromo-3-methoxy-2-methylbenzoate

AG00DBAV

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CAS Number	55289-16-2
Catalog Number	AG00DBAV(AGN-PC-0A5MAC)
Chemical Name	methyl 6-bromo-3-methoxy-2-methylbenzoate
IUPAC Name	methyl 6-bromo-3-methoxy-2-methylbenzoate
InChI	InChI=1S/C10H11BrO3/c1-6-8(13-2)5-4-7(11)9(6)10(12)14-3/h4-5H,1-3H3
InChI Key	TUXBCXWWUOZFOX-UHFFFAOYSA-N
MDL Number	MFCD16660004
Molecular Formula	C10H11BrO3
Molecular Weight	259.0965
SMILES	C(=O)(OC)c1c(C)c(OC)ccc1Br
Synonyms	methyl 6-bromo-3-methoxy-2-methylbenzoate, 55289-16-2, AK279907, SCHEMBL11639125, DTXSID80710650, CS-B1204, KS-00000L0D, ZX-RL003221, 5510AE, MFCD16660004, ZINC71788985, AKOS015991513, FCH1346928, KF-0031, MCULE-8053088666, RP14665, OR303961, FT-0684594, J-522534, C10H11BrO3,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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