Basic information
- CAS
77547-10-5- Standard SMILES
O=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1- InChIKey
NGHPZJANMYNWNT-UHFFFAOYSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.05652907
Names & identifiers
- Preferred name
- 4-(Morpholine-4-sulfonyl)benzaldehyde
- IUPAC
- 4-morpholin-4-ylsulfonylbenzaldehyde
- English name
- 4-(Morpholine-4-sulfonyl)-benzaldehyde
- Molecular formula
- C11H13NO4S
- Molecular weight
- 255.29
Names & synonyms
4-(morpholine-4-sulfonyl)benzaldehyde77547-10-54-(morpholinosulfonyl)benzaldehyde4-(4-Morpholinylsulfonyl)benzaldehydeMFCD11101102SCHEMBL8472774-morpholinosulfonylbenzaldehydeSCHEMBL5803751DTXSID80653795NGHPZJANMYNWNT-UHFFFAOYSA-N4-morpholin-4-ylsulfonylbenzaldehydeSBB079464
Show more names
Benzaldehyde, 4-(4-morpholinylsulfonyl)-
AKOS0235536914-(morpholin-4-ylsulfonyl)benzaldehydeNS-03869PD193867DB-184049CS-04556404-(MORPHOLINE-4-SULFONYL)-BENZALDEHYDEEN300-111016
Database identifiers
- CAS
77547-10-5- PubChem CID
- 39733778
- DTXSID
DTXSID80653795
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 439 · 439.0±55.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- -8.07 · -8.07±0.20(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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