Basic information
- CAS
64037-24-7- Standard SMILES
CNc1nc2cc(Cl)ccc2o1- InChIKey
JCDFYLCJMXKBNO-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O
- Average molar mass
- 182.61 g/mol
- Monoisotopic mass
- 182.0246905
Names & identifiers
- Preferred name
- Benzoxazole, 5-chloro-2-methylamino-
- IUPAC
- 5-chloro-N-methyl-1,3-benzoxazol-2-amine
- English name
- 5-Chloro-N-methyl-2-benzoxazolamine
- Molecular formula
- C8H7ClN2O
- Molecular weight
- 182.61
Names & synonyms
64037-24-7BENZOXAZOLE, 5-CHLORO-2-METHYLAMINO-DTXSID60214045RefChem:1079374DTXCID601365365-Chloro-N-methylbenzo[d]oxazol-2-amine5-chloro-N-methyl-1,3-benzoxazol-2-amine2-Benzoxazolamine, 5-chloro-N-methyl-5-Chloro-2-methylaminobenzoxazole5-Chloro-N-methyl-2-benzoxazolamineBRN 0130944NSC24981
Show more names
SCHEMBL10700728SCHEMBL21154027NSC 24981NSC-24981AKOS022189110DB-306718
Database identifiers
- CAS
64037-24-7- PubChem CID
- 46397
- DTXSID
DTXSID60214045- Nikkaji
- J67.905D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 150.5 · 150.5-151.0 °C
- Boiling point
- 278.7 · 278.7±32.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- pka
- 0.82 · 0.82±0.10(Predicted)
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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