AG000S2D

1261862-72-9 | Ethyl 2-(3-bromo-2-methylphenyl)acetate

AG000S2D

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CAS Number	1261862-72-9
Catalog Number	AG000S2D(AGN-PC-0JEKA5)
Chemical Name	Ethyl 2-(3-bromo-2-methylphenyl)acetate
IUPAC Name	ethyl 2-(3-bromo-2-methylphenyl)acetate
InChI	InChI=1S/C11H13BrO2/c1-3-14-11(13)7-9-5-4-6-10(12)8(9)2/h4-6H,3,7H2,1-2H3
InChI Key	XNNADSVIJHLPHG-UHFFFAOYSA-N
MDL Number	MFCD18395994
Molecular Formula	C11H13BrO2
Molecular Weight	257.1237
SMILES	O=C(OCC)CC1=CC=CC(Br)=C1C
Synonyms	ethyl 2-(3-bromo-2-methylphenyl)acetate, 1261862-72-9, 3-bromo-2-methylphenylacetic acid ethyl ester, CTK8E4393, Ethyl 3-bromo-2-methylphenylacetate, MFCD18395994, ZINC83428714, AKOS025296050, NE16319, AK545168, DS-19372, TX-016690, CS-0062371, KS-00000252, Benzeneacetic acid, 3-bromo-2-methyl-, ethyl ester, ethyl2-(3-bromo-2-methylphenyl)acetate,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.127g/mol
Monoisotopic Mass	256.01g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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