(2E)-3-(4-Chlorophenyl)-2-cyanoprop-2-enoic acid
Properties
- Molecular formula
- C10H6ClNO2
- Molar mass
- 207.61 g/mol
- Exact mass
- 207.0087 Da
- logP
- 2.33Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H312 Harmful in contact with skin97.4% of notifiers
- H332 Harmful if inhaled97.4% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, P501
Identifiers
CAS number
20374-46-3SMILES
C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)ClInChIKey
MXCRRKYUQNHWLJ-VMPITWQZSA-NInChI
InChI=1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-(4-Chlorophenyl)-2-cyanoacrylic acid
Work with (2E)-3-(4-Chlorophenyl)-2-cyanoprop-2-enoic acid
Similar compounds
α-Cyanocinnamic acid1011-92-371 % similar
α-Cyano-4-hydroxycinnamic acid28166-41-870 % similar
2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid54673-07-360 % similar
3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-956 % similar
2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid56396-35-143 % similar
3-(p-Chlorobenzylidene)phthalide20526-97-042 % similar
4-Chlorocinnamic acid1615-02-741 % similar
Tyrphostin A46122520-85-840 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.