Basic information
- CAS
64037-23-6- Standard SMILES
Cn1c(=N)oc2ccc(Cl)cc21- InChIKey
IHHFWUALAIRFQB-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O
- Average molar mass
- 182.61 g/mol
- Monoisotopic mass
- 182.0246905
Names & identifiers
- Preferred name
- 5-Chloro-3-methyl-2(3H)-benzoxazolimine
- IUPAC
- 5-chloro-3-methyl-1,3-benzoxazol-2-imine
- English name
- 5-Chloro-3-methyl-2(3H)-benzoxazolimine
- Molecular formula
- C8H7ClN2O
- Molecular weight
- 182.61
Names & synonyms
64037-23-65-Chloro-3-methyl-2(3H)-benzoxazolimineRefChem:10727945-Chloro-2-imino-3-methylbenzoxazolineBENZOXAZOLINE, 5-CHLORO-2-IMINO-3-METHYL-BRN 0140953NSC249852(3H)-Benzoxazolimine, 5-chloro-3-methyl-DTXSID601031668NSC 24985NSC-24985DB-219452
Database identifiers
- CAS
64037-23-6- PubChem CID
- 46396
- DTXSID
DTXSID601031668- Nikkaji
- J67.923B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…