Basic information
- CAS
27489-27-6- Standard SMILES
O=C(O)CS(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
MWXQLKQDSAWKFW-UHFFFAOYSA-N- Molecular formula
- C8H7NO6S
- Average molar mass
- 245.21 g/mol
- Monoisotopic mass
- 244.99940812
Names & identifiers
- Preferred name
- [(2-Nitrophenyl)sulfonyl]acetic acid
- IUPAC
- 2-(2-nitrophenyl)sulfonylacetic acid
- English name
- [(2-NITROPHENYL)SULFONYL]ACETIC ACID
- Molecular formula
- C8H7NO6S
- Molecular weight
- 245.21
Names & synonyms
27489-27-6[(2-Nitrophenyl)sulfonyl]acetic acid2-(2-nitrophenyl)sulfonylacetic acid2-(2-nitrobenzenesulfonyl)acetic acid2-[(2-nitrophenyl)sulfonyl]acetic acid2-((2-Nitrophenyl)sulfonyl)acetic acidSDCCGMLS-0065635.P001SCHEMBL7824019SCHEMBL8769965DTXSID00352450CBA48927CCG-54808
Show more names
IFLAB-BB F1905-0001
MFCD00182668AKOS0022879192-((2-Nitrophenyl)sulfonyl)aceticacid(2-Nitrobenzene-1-sulfonyl)acetic acidCS-0214616ST50032458EN300-183969SR-01000643876-1
Database identifiers
- CAS
27489-27-6- PubChem CID
- 726917
- DTXSID
DTXSID00352450
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 378
Chemistry & industry
Suppliers5 total
A.J Chemicals[email protected]
COMBI-BLOCKS[email protected]
IFLAB-BB[email protected]
ZERENEX[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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