AG003E4Z

58106-25-5 | 1-Bromo-4-methoxy-2,5-dimethylbenzene

AG003E4Z

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CAS Number	58106-25-5
Catalog Number	AG003E4Z(AGN-PC-0KKITJ)
Chemical Name	1-Bromo-4-methoxy-2,5-dimethylbenzene
IUPAC Name	1-bromo-4-methoxy-2,5-dimethylbenzene
InChI	InChI=1S/C9H11BrO/c1-6-5-9(11-3)7(2)4-8(6)10/h4-5H,1-3H3
InChI Key	YSSZMKUHFOKNPD-UHFFFAOYSA-N
MDL Number	MFCD01652198
Molecular Formula	C9H11BrO
Molecular Weight	215.0870
SMILES	CC1=C(OC)C=C(C)C(Br)=C1
Synonyms	1-Bromo-4-methoxy-2,5-dimethylbenzene, 4-Bromo-2,5-dimethylanisole, 58106-25-5, 1174893-99-2, ACMC-20aowt, AC1MBLG8, SCHEMBL5859293, CTK6J5421, DTXSID40372910, YSSZMKUHFOKNPD-UHFFFAOYSA-N, ZINC2382996, 6005AE, MFCD01652198, AKOS004907335, 2-Bromo-5-methoxy-1,4-dimethylbenzene, 1 -bromo-4-methoxy-2,5-dimethylbenzene, AJ-34922, TR-071473, ST24037894, 1-Bromo-4-methoxy-2,5-dimethylbenzene, 98%, C-5958, I01-17155, C9H11BrO, ZINC02382996, CID2752598,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.999g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.09g/mol
Monoisotopic Mass	213.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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

Lot Number