(2E)-3-(2,5-Dichlorophenyl)prop-2-enoic acid
Properties
- Molecular formula
- C9H6Cl2O2
- Molar mass
- 217.05 g/mol
- Exact mass
- 215.9745 Da
- logP
- 3.09Crippen 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 irritation50% of notifiers
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
20595-47-5SMILES
C1=CC(=C(C=C1Cl)/C=C/C(=O)O)ClInChIKey
LYYBVUOVYNSRSE-DAFODLJHSA-NInChI
InChI=1S/C9H6Cl2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2,5-Dichlorocinnamic acid
Work with (2E)-3-(2,5-Dichlorophenyl)prop-2-enoic acid
Similar compounds
2-Chlorocinnamic acid3752-25-869 % similar
3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-864 % similar
(2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-364 % similar
2-Chloro-5-nitrocinnamic acid36015-19-760 % similar
4-Chlorocinnamic acid1615-02-758 % similar
(2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-658 % similar
3-(3-Chlorophenyl)-2-propenoic acid1866-38-258 % similar
2-Chloro-4-fluorocinnamic acid133220-86-757 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.