4-Bromo-2,6-dimethylanisole

C9H11BrOCAS 14804-38-7215.09 g/mol

Open in Covalent MOL file
OBr
Aryl halideEther

Properties

Molecular formula
C9H11BrO
Molar mass
215.09 g/mol
Exact mass
213.9993 Da
logP
3.07Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
14804-38-7
SMILES
CC1=CC(=CC(=C1OC)C)Br
InChIKey
MMARFGDTMJBIBK-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3

Weigh it out

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Work with 4-Bromo-2,6-dimethylanisole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-3,4,5-trimethoxybenzene2675-79-858 % similar 2,4,6-Tribromoanisole607-99-858 % similar 4-Bromo-2-methylanisole14804-31-055 % similar 4-Bromo-2,6-difluoroanisole104197-14-054 % similar 5-Bromo-2-methoxy-3-methylpyridine760207-87-252 % similar 2,6-Dimethylanisole1004-66-650 % similar 1-Bromo-3,5-dimethoxybenzene20469-65-250 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3-isopropoxybenzene131738-73-3 Benzyl 2-bromoethyl ether1462-37-9 2-(4-Bromophenyl)propan-2-ol2077-19-2 3-(4-Bromophenyl)propan-1-ol25574-11-2 1-Bromo-4-propoxybenzene39969-56-7 3-(2-Bromo-phenyl)-propan-1-ol52221-92-8 (3-Bromopropoxy)benzene588-63-6 1-Bromo-2-(1-methylethoxy)benzene701-07-5

Elsewhere

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