Basic information
- CAS
174482-89-4- Standard SMILES
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1- InChIKey
JFGITFUPSIAISG-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O4
- Average molar mass
- 270.67 g/mol
- Monoisotopic mass
- 270.0407345
Names & identifiers
- Preferred name
- 4-(4-Chloro-3-nitrobenzoyl)morpholine
- IUPAC
- (4-chloro-3-nitrophenyl)-morpholin-4-ylmethanone
- English name
- CHEMBRDG-BB 5258414
- Molecular formula
- C11H11ClN2O4
- Molecular weight
- 270.67
Names & synonyms
4-(4-CHLORO-3-NITROBENZOYL)MORPHOLINE174482-89-4DTXSID20352174RefChem:287907DTXCID00303240MFCD00583780(4-chloro-3-nitrophenyl)-morpholin-4-ylmethanone(4-chloro-3-nitrophenyl)(morpholin-4-yl)methanoneMethanone, (4-chloro-3-nitrophenyl)-4-morpholinyl-morpholine, 4-(4-chloro-3-nitrobenzoyl)-4-chloro-3-nitrophenyl morpholin-4-yl ketone(4-chloro-3-nitrophenyl)(morpholino)methanone
Show more names
TIMTEC-BB SBB006017CHEMBRDG-BB 5258414
Oprea1_184376Oprea1_408894CBDivE_015691SCHEMBL32660033ALBB-023269SBB006017STK150255AKOS000200462
Database identifiers
- CAS
174482-89-4- PubChem CID
- 720706
- DTXSID
DTXSID20352174
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 463.6 · 463.6±45.0 °C(Predicted)
- Density
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- pka
- -2.69 · -2.69±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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