2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one
Basic information
- CAS
77093-93-7- Standard SMILES
O=c1oc(NCCCl)nc2ccccc12- InChIKey
KFSRFZLPZZONHH-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O2
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.0352552
Names & identifiers
- Preferred name
- 2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-(2-chloroethylamino)-3,1-benzoxazin-4-one
Names & synonyms
2-((2-Chloroethyl)amino)-4H-3,1-benzoxazin-4-one77093-93-7NSC 349795DTXSID202278732-[(2-Chloroethyl)amino]-4H-3,1-benzoxazin-4-oneRefChem:83663DTXCID701503642-(2-chloroethylamino)-3,1-benzoxazin-4-one9R8FCH9C78NSC349795UNII-9R8FCH9C78NSC-349795
Show more names
4H-3,1-Benzoxazin-4-one, 2-[(2-chloroethyl)amino]-
Database identifiers
- CAS
77093-93-7- PubChem CID
- 336229
- DTXSID
DTXSID20227873- UNII
- 9R8FCH9C78
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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