Basic information
- CAS
64037-13-4- Standard SMILES
Nc1nc2cc(I)ccc2o1- InChIKey
VLQYRAJKFGZRNV-UHFFFAOYSA-N- Molecular formula
- C7H5IN2O
- Average molar mass
- 260.03 g/mol
- Monoisotopic mass
- 259.94466
Names & identifiers
- Preferred name
- 5-Iodo-2-benzoxazolamine
- IUPAC
- 5-iodo-1,3-benzoxazol-2-amine
- English name
- 5-Iodo-2-benzoxazolamine
- Molecular formula
- C7H5IN2O
- Molecular weight
- 260.03
Names & synonyms
64037-13-45-Iodo-2-benzoxazolamineBENZOXAZOLE, 2-AMINO-5-IODO-DTXSID10214035RefChem:1073022DTXCID101365265-iodo-1,3-benzoxazol-2-amine5-Iodobenzo[d]oxazol-2-amine2-Benzoxazolamine, 5-iodo-2-Amino-5-iodobenzoxazoleNSC24980SCHEMBL15679284
Show more names
MFCD01664143NSC 24980NSC-24980BS-29253DB-296193
Database identifiers
- CAS
64037-13-4- PubChem CID
- 46386
- DTXSID
DTXSID10214035- Nikkaji
- J67.895C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 364.4 · 364.4±34.0 °C(Predicted)
- Density
- 1.9493 · 1.9493 (estimate)
- pka
- 1.17 · 1.17±0.10(Predicted)
Chemistry & industry
Suppliers3 total
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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