AG0037VA

41280-65-3 | 2-Bromo-4-tert-butyl-1-methoxybenzene

AG0037VA

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CAS Number	41280-65-3
Catalog Number	AG0037VA(AGN-PC-0NJS8Z)
Chemical Name	2-Bromo-4-tert-butyl-1-methoxybenzene
IUPAC Name	2-bromo-4-tert-butyl-1-methoxybenzene
InChI	InChI=1S/C11H15BrO/c1-11(2,3)8-5-6-10(13-4)9(12)7-8/h5-7H,1-4H3
InChI Key	KBJMBOZJLNXKDI-UHFFFAOYSA-N
MDL Number	MFCD17214261
Molecular Formula	C11H15BrO
Molecular Weight	243.1402
SMILES	COc1ccc(cc1Br)C(C)(C)C
Synonyms	41280-65-3, 2-BROMO-4-TERT-BUTYL-1-METHOXYBENZENE, 2-Bromo-4-(tert-butyl)-1-methoxybenzene, 2-Bromo-4-tert-butylanisole, Benzene, 2-bromo-4-(1,1-dimethylethyl)-1-methoxy-, ACMC-209jjl, SCHEMBL580616, CTK4I4550, DTXSID40505923, KBJMBOZJLNXKDI-UHFFFAOYSA-N, ANW-29599, MFCD17214261, ZINC39259836, AKOS015835233, 1-Methoxy-2-bromo-4-tert-butylbenzene, AJ-99480, AS-17982, TR-036748, CS-0060878, V5849, B-2339, I01-10825, C11H15BrO,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.144g/mol
Monoisotopic Mass	242.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number