chempirical

(4-Bromo-3-fluorophenyl)methanol

C7H6BrFOCAS 222978-01-0205.03 g/mol

Open in Covalent MOL file
HOFBr
AlcoholAryl halide

Properties

Molecular formula
C7H6BrFO
Molar mass
205.03 g/mol
Exact mass
203.9586 Da
logP
2.08Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
222978-01-0
SMILES
C1=CC(=C(C=C1CO)F)Br
InChIKey
VQDUFYPJCUBGQW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2

Weigh it out

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Work with (4-Bromo-3-fluorophenyl)methanol

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-Bromo-4-fluorobenzenemethanol77771-03-072 % similar 3,4-Difluorobenzenemethanol85118-05-464 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-463 % similar 2-Bromo-5-(hydroxymethyl)phenol2737-19-158 % similar 2-(4-Bromo-3-fluorophenyl)acetic acid942282-40-857 % similar (4-Bromo-3-methylphenyl)methanol149104-89-256 % similar 3-Fluoro-4-methylbenzyl alcohol192702-79-756 % similar 3-Fluoro-4-bromoobenzyl cyanide499983-13-056 % similar

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

Same formula

4-Bromo-1-fluoro-2-methoxybenzene103291-07-2 3-Bromo-4-fluoroanisole1161497-23-9 4-Bromo-2-fluorobenzyl alcohol188582-62-9 2-Bromo-5-fluorobenzenemethanol202865-66-5 (3-Bromo-5-fluorophenyl)methanol216755-56-5 2-Bromo-4-fluorobenzyl alcohol229027-89-8 4-Bromo-2-fluoroanisole2357-52-0 3-Bromo-2-fluorobenzyl Alcohol261723-32-4

Elsewhere

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