1-Bromo-4-N-heptylbenzene

C₁₃H₁₉BrCAS 76287-49-5255.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₉Br
Molar mass: 255.20 g/mol
Exact mass: 254.0670 Da
logP: 4.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

76287-49-5

SMILES

CCCCCCCC1=CC=C(C=C1)Br

InChIKey

YHKMTIJHJWYYAG-UHFFFAOYSA-N

InChI

InChI=1S/C13H19Br/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-Bromo-4-heptylbenzene

Work with 1-Bromo-4-N-heptylbenzene

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-4-dodecylbenzene126930-72-1100 % similar 1-(4-Bromophenyl)hexane23703-22-2100 % similar 1-(4-Bromophenyl)octane51554-93-9100 % similar 1-Bromo-4-nonylbenzene51554-94-0100 % similar 1-Bromo-4-pentylbenzene51554-95-196 % similar 4-Bromo-4'-N-heptylbiphenyl58573-93-688 % similar 4-Bromo-4'-pentylbiphenyl63619-59-085 % similar 1-Bromo-4-butylbenzene41492-05-183 % similar

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

Same formula

1-Bromo-7-phenylheptane78573-85-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook