Basic information
- CAS
64037-29-2- Standard SMILES
Nc1nc2cc(Cl)cc(S(=O)(=O)O)c2o1- InChIKey
GBNSTFYSASRNQI-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O4S
- Average molar mass
- 248.64 g/mol
- Monoisotopic mass
- 247.9658555
Names & identifiers
- Preferred name
- Benzoxazole-7-sulfonic acid, 2-amino-5-chloro-
- IUPAC
- 2-amino-5-chloro-1,3-benzoxazole-7-sulfonic acid
- English name
- 2-Amino-5-chloro-7-benzoxazolesulfonic acid
- Molecular formula
- C7H5ClN2O4S
- Molecular weight
- 248.64
Names & synonyms
64037-29-2BENZOXAZOLE-7-SULFONIC ACID, 2-AMINO-5-CHLORO-2-Amino-5-chlorobenzoxazole-7-sulfonic acidDTXSID40214048NSC 24968RefChem:328293DTXCID401365392-amino-5-chlorobenzo[d]oxazole-7-sulfonic acid2-amino-5-chloro-1,3-benzoxazole-7-sulfonic acidNSC249682-Amino-5-chloro-7-benzoxazolesulfonic acid7-Benzoxazolesulfonic acid, 2-amino-5-chloro-
Show more names
NSC-24968DB-292813
Database identifiers
- CAS
64037-29-2- PubChem CID
- 46403
- DTXSID
DTXSID40214048- Nikkaji
- J67.914C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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