chempirical

1-Bromo-3-isopropoxybenzene

C9H11BrOCAS 131738-73-3215.09 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
2

Identifiers

CAS number
131738-73-3
SMILES
CC(C)Oc1cccc(Br)c1
InChIKey
JYWJZIQSPRFCDB-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-bromo-3-(1-methylethoxy)-
  • 1-Bromo-3-(1-methylethoxy)benzene
  • 3-Isopropoxyphenyl bromide
  • 1-Bromo-3-[(1-methylethyl)oxy]benzene
  • 3-Bromo-1-isopropoxybenzene
  • 1-Bromo-3-[(propan-2-yl)oxy]benzene
  • 1-Bromo-3-propan-2-yloxybenzene
  • 1-Bromo-3-(propan-2-yloxy)benzene

Work with 1-Bromo-3-isopropoxybenzene

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

3-Bromoanisole2398-37-057 % similar 1-Bromo-3-ethoxybenzene2655-84-752 % similar 1,4-Diisopropoxybenzene7495-78-548 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-047 % similar 1,3-Dibromobenzene108-36-146 % similar 1-Bromo-3-(4-fluorophenoxy)benzene50904-38-644 % similar (+)-1-(3-Bromophenyl)ethanol134615-24-043 % similar 1-(3-Bromophenyl)ethanol52780-14-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyl 2-bromoethyl ether1462-37-9 4-Bromo-2,6-dimethylanisole14804-38-7 (3-Bromopropoxy)benzene588-63-6 1-Bromo-2-(1-methylethoxy)benzene701-07-5

Elsewhere

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