1-Bromo-4-propoxybenzene

C9H11BrOCAS 39969-56-7215.09 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
3.24Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
39969-56-7
SMILES
CCCOC1=CC=C(C=C1)Br
InChIKey
VVPARGBRVKRZJC-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 4-N-Propoxybromobenzene

Work with 1-Bromo-4-propoxybenzene

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

4-Butoxybromobenzene39969-57-878 % similar 1-Bromo-4-(pentyloxy)benzene30752-18-275 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-372 % similar p-Bromophenyl octyl ether96693-05-972 % similar 4-Bromophenetole588-96-569 % similar 4-Propoxyphenol18979-50-564 % similar 2-(4-Bromophenoxy)ethanol34743-88-959 % similar 4-Propoxybenzenamine4469-80-159 % 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 4-Bromo-2,6-dimethylanisole14804-38-7 2-(4-Bromophenyl)propan-2-ol2077-19-2 3-(4-Bromophenyl)propan-1-ol25574-11-2 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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