Basic information
- CAS
314076-16-9- Standard SMILES
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1c(F)cccc1Cl- InChIKey
VBVKMIRTEFNVJR-UHFFFAOYSA-N- Molecular formula
- C22H17ClFN3O
- Average molar mass
- 393.8 g/mol
- Monoisotopic mass
- 393.104418
Names & identifiers
- Preferred name
- (E)-3-(9H-carbazol-9-yl)-N'-(2-chloro-6-fluorobenzylidene)propanehydrazide
- IUPAC
- 3-carbazol-9-yl-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]propanamide
- English name
- (E)-3-(9H-carbazol-9-yl)-N-(2-chloro-6-fluorobenzylidene)propanehydrazide
- Molecular formula
- C22H17ClFN3O
- Molecular weight
- 393.84
Names & synonyms
314076-16-9(E)-3-(9H-carbazol-9-yl)-N'-(2-chloro-6-fluorobenzylidene)propanehydrazide3-(9H-carbazol-9-yl)-N'-[(1E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide3-(9H-carbazol-9-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazideSTK1061843-carbazol-9-yl-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]propanamideAKOS001326298ST50054081AB00673218-01Z57452735F1092-15193-CARBAZOL-9-YL-PROPIONIC ACID (2-CHLORO-6-FLUORO-BENZYLIDENE)-HYDRAZIDE
Show more names
(E)-3-(9H-carbazol-9-yl)-N-(2-chloro-6-fluorobenzylidene)propanehydrazide9H-Carbazole-9-propanoic acid, 2-[(2-chloro-6-fluorophenyl)methylene]hydrazide
N-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-3-carbazol-9-ylpropanamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 552
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 12.23 · 12.23±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
VITAS-BB—
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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