1-Bromo-7-phenylheptane

C₁₃H₁₉BrCAS 78573-85-0255.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₉Br
Molar mass: 255.20 g/mol
Exact mass: 254.0670 Da
logP: 4.57Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

78573-85-0

SMILES

C1=CC=C(C=C1)CCCCCCCBr

InChIKey

ASLQYSAHLPRDAY-UHFFFAOYSA-N

InChI

InChI=1S/C13H19Br/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2

Weigh it out

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

Work with 1-Bromo-7-phenylheptane

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-5-phenylpentane14469-83-1100 % similar 1-Bromo-6-phenylhexane27976-27-8100 % similar 1-Bromo-8-phenyloctane54646-75-2100 % similar 1-Bromo-10-phenyldecane85562-26-1100 % similar 1-Bromo-4-phenylbutane13633-25-595 % similar 1-Bromo-3-phenylpropane637-59-280 % similar 2-Phenylethyl bromide103-63-967 % similar Benzyl 4-bromobutyl ether60789-54-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-N-heptylbenzene76287-49-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook