1-Bromo-4-phenylbutane

C₁₀H₁₃BrCAS 13633-25-5213.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃Br
Molar mass: 213.12 g/mol
Exact mass: 212.0201 Da
logP: 3.40Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

13633-25-5

SMILES

C1=CC=C(C=C1)CCCCBr

InChIKey

XPBQQAHIVODAIC-UHFFFAOYSA-N

InChI

InChI=1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

Weigh it out

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

Work with 1-Bromo-4-phenylbutane

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-phenylpropane637-59-284 % similar 2-Phenylethyl bromide103-63-970 % similar 1,3-Diphenylpropane1081-75-058 % similar Benzyl 3-bromopropyl ether54314-84-056 % similar Bibenzyl103-29-753 % similar (4-Bromobutoxy)benzene1200-03-952 % similar Benzyl bromide100-39-050 % similar Benzenebutanamine13214-66-950 % similar

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

Same formula

3-Bromo-1,2,4,5-tetramethylbenzene1646-53-3 1-Bromo-4-(2-methylpropyl)benzene2051-99-2 1-Bromo-4-tert-butylbenzene3972-65-4 1-Bromo-4-butylbenzene41492-05-1

Elsewhere

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