Basic information
- CAS
109029-96-1- Standard SMILES
O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl- InChIKey
GOWHUHLKBKFDKK-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO5S
- Average molar mass
- 305.74 g/mol
- Monoisotopic mass
- 305.01247116
Names & identifiers
- Preferred name
- 2-Chloro-5-(morpholine-4-sulfonyl)-benzoic acid
- IUPAC
- 2-chloro-5-morpholin-4-ylsulfonylbenzoic acid
- English name
- 2-CHLORO-5-(MORPHOLINE-4-SULFONYL)-BENZOIC ACID
- Molecular formula
- C11H12ClNO5S
- Molecular weight
- 305.73
Names & synonyms
109029-96-12-Chloro-5-(morpholine-4-sulfonyl)-benzoic acid2-chloro-5-(morpholine-4-sulfonyl)benzoic acid2-Chloro-5-(morpholinosulfonyl)benzoic acidMFCD004928722-chloro-5-morpholin-4-ylsulfonylbenzoic acid2-Chloro-5-(4-morpholinylsulfonyl)benzoic acid2-chloro-5-(morpholin-4-ylsulfonyl)benzoic acidOprea1_517074Oprea1_683590SCHEMBL3919968GOWHUHLKBKFDKK-UHFFFAOYSA-N
Show more names
2-Chloro-5-(morpholin-4-ylsulfonyl)-benzoic acidBenzoic acid, 2-chloro-5-(4-morpholinylsulfonyl)-
DTXSID801245796SBB016617AKOS000114712CCG-103876OTAVA-BB BB7020410135SY1335132-Chloro-5-(morpholinosulfonyl)benzoicacid2-chloro-5-morpholinosulfonyl-benzoic acid
Database identifiers
- CAS
109029-96-1- PubChem CID
- 767896
- DTXSID
DTXSID801245796
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-5-(morpholine-4-sulfonyl)benzoic Acid is a useful reactant in organic synthesis.
Suppliers2 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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