AG0027MK

1835-02-5 | Ethanone, 2-bromo-1-(3,4-dimethoxyphenyl)-

AG0027MK

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CAS Number	1835-02-5
Catalog Number	AG0027MK(AGN-PC-0JO2EQ)
Chemical Name	Ethanone, 2-bromo-1-(3,4-dimethoxyphenyl)-
IUPAC Name	2-bromo-1-(3,4-dimethoxyphenyl)ethanone
InChI	InChI=1S/C10H11BrO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,6H2,1-2H3
InChI Key	NUAIPKMBWNVQIM-UHFFFAOYSA-N
MDL Number	MFCD03425186
Molecular Formula	C10H11BrO3
Molecular Weight	259.0965
NSC Number	112833
SMILES	BrCC(=O)C1=CC(=C(C=C1)OC)OC
Synonyms	2-Bromo-1-(3,4-dimethoxyphenyl)ethanone, 1835-02-5, 1-(3,4-dimethoxyphenyl)-2-bromoethanone, 2-Bromo-1-(3,4-dimethoxy-phenyl)-ethanone, Ethanone, 2-bromo-1-(3,4-dimethoxyphenyl)-, 3,4-Dimethoxyphenacyl bromide, 2-bromo-1-(3,4-dimethoxyphenyl)ethan-1-one, 1-(3,4-dimethoxyphenyl)-2-bromoethan-1-one, MFCD03425186, NSC112833, 2-brom-1-(3,4-dimethoxyphenyl)ethanon, AC1L6OKB, 3,4-dimethoxy-phenacylbromide, SCHEMBL426444, AC1Q27F7, AC1Q46K0, CTK3J6875, KS-00000ZLA, DTXSID50296951, NUAIPKMBWNVQIM-UHFFFAOYSA-N, ALBB-020924, BCP10190, ZINC1703889, ANW-60150, BBL004522, SBB018310, STK735566, AKOS000122942, AC-4561, CS-W001483, MCULE-2171995209, NSC-112833, QC-2719, RP07228, RTX-011729, VZ23863, AJ-30565, AK-42206, AN-11835, AS-19779, BC682584, BP-20198, CJ-28795, SC-13391, AB0040455, DB-005986, BB 0254469, Ethanone,2-bromo-1-(3,4-dimethoxyphenyl)-, FT-0082358, FT-0633871, R7702, ST45028038, Y8060, 2-bromo-1-(3,4-dimethoxyphenyl)-1-ethanone, EN300-05000, SR-01000045618, I01-9441, SR-01000045618-1, W-206313, F3139-2827, C10H11BrO3, AR-1D9286, CID270423, RW1731, ACN-038099, 2-Bromo-1-(3,4-dimethoxyphenyl)-Ethanone, 2-bromo-1-(3,4-dimethoxyphenyl)ethanone, 95% - 1G 1g, 18441-77-5, 56973-26-3,

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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319
Packing Group	Ⅱ
Precautionary statements	P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number