2-Bromocinnamic acid
Properties
- Molecular formula
- C9H7BrO2
- Molar mass
- 227.06 g/mol
- Exact mass
- 225.9629 Da
- logP
- 2.55Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 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
7345-79-1SMILES
C1=CC=C(C(=C1)/C=C/C(=O)O)BrInChIKey
OMHDOOAFLCMRFX-AATRIKPKSA-NInChI
InChI=1S/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Bromocinnamic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-(2-Bromo-5-fluorophenyl)-2-propenoic acid202865-70-164 % similar
2-Bromo-4-fluorocinnamic acid289038-17-164 % similar
2-Formylcinnamic acid130036-17-864 % similar
o-Coumaric acid583-17-564 % similar
O-Coumaric acid614-60-864 % similar
2-Methylcinnamic acid2373-76-462 % similar
2-Chlorocinnamic acid3752-25-862 % similar
3-(2-Fluorophenyl)-2-propenoic acid451-69-462 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.