Basic information
- CAS
86454-33-3- Standard SMILES
O=Cc1cccn1-c1cccc(Cl)c1- InChIKey
UOEPODIXYXIDCC-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO
- Average molar mass
- 205.64 g/mol
- Monoisotopic mass
- 205.02944156
Names & identifiers
- Preferred name
- 1-(3-chlorophenyl)-1H-pyrrole-2-carbaldehyde
- IUPAC
- 1-(3-chlorophenyl)pyrrole-2-carbaldehyde
- English name
- 1-(3-Chlorophenyl)-1H-pyrrole-2-carbaldehyde
- Molecular formula
- C11H8ClNO
- Molecular weight
- 205.64
Names & synonyms
1-(3-chlorophenyl)-1H-pyrrole-2-carbaldehyde86454-33-31-(3-chlorophenyl)pyrrole-2-carbaldehydeN-(3-chlorophenyl)pyrrole-2-carboxaldehydeDTXSID50395352UOEPODIXYXIDCC-UHFFFAOYSA-NBBL012145MFCD02664875STK803072AKOS000101234SB62726NCGC00325435-01
Show more names
CHEMBRDG-BB 43020481H-Pyrrole-2-carboxaldehyde, 1-(3-chlorophenyl)-1-(3-chlorophenyl)-1H-pyrrole-2-carbaldehyde(SALTDATA: FREE)
VS-03208DB-028488CS-0322235AB01320437-02EN300-6502991
Database identifiers
- CAS
86454-33-3- PubChem CID
- 3710040
- DTXSID
DTXSID50395352
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 58 · 58-60 °C
- Boiling point
- 348.2 · 348.2±22.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- -9.82 · -9.82±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
成都艾娜华化学制剂有限公司028-86612776; 13699069380 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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