AG003J3Z

75148-49-1 | 1-Bromo-3-(diethoxymethyl)benzene

AG003J3Z

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CAS Number	75148-49-1
Catalog Number	AG003J3Z(AGN-PC-0KK63N)
Chemical Name	1-Bromo-3-(diethoxymethyl)benzene
IUPAC Name	1-bromo-3-(diethoxymethyl)benzene
InChI	InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H3
InChI Key	KDHRJLQXMOBXRV-UHFFFAOYSA-N
MDL Number	MFCD01075697
Molecular Formula	C11H15BrO2
Molecular Weight	259.1396
SMILES	CCOC(OCC)C1=CC=CC(Br)=C1
Synonyms	3-Bromobenzaldehyde diethyl acetal, 75148-49-1, 1-bromo-3-(diethoxymethyl)benzene, (3-bromophenyl)diethoxymethane, 3-BROMO-ALPHA,ALPHA-DIETHOXYTOLUENE, MFCD01075697, Benzene, 1-bromo-3-(diethoxymethyl)-, 3-BromobenzaldehydeDiethylAcetal, PubChem5371, ACMC-209ox6, AC1MBZ59, SCHEMBL3141582, 1-Bromo-3-diethoxymethylbenzene, CTK3J7850, DTXSID10369933, KDHRJLQXMOBXRV-UHFFFAOYSA-N, ZINC403275, 1-(Diethoxymethyl)-3-bromobenzene, 1686AC, ANW-36568, SBB064133, AKOS005207057, AS03778, LS11192, MCULE-3375234038, TRA0075185, VZ26489, 1-BROMO-3-DIETHOXYMETHYL-BENZENE, 3-Bromobenzaldehyde diethyl acetal, 98%, AJ-22005, AK110765, AN-37010, BC002960, SY034271, AB0056341, AX8022490, DB-031883, RT-004042, A9588, B3822, FT-0615192, ST24021250, ST50826596, KS-00001183, MFCD01075697 (97%), InChI=1/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H, C11H15BrO2, ZINC00403275, ACN-044330, CID2733543,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.026g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.143g/mol
Monoisotopic Mass	258.026g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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