2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-
Basic information
- CAS
86522-40-9- Standard SMILES
Cc1nc2ccc(N)cc2oc1=O- InChIKey
PJVHXBVMVMQIDU-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-
- IUPAC
- 7-amino-3-methyl-1,4-benzoxazin-2-one
Names & synonyms
2H-1,4-Benzoxazin-2-one, 7-amino-3-methyl-86522-40-9DTXSID10326546RefChem:267933DTXCID002776597-amino-3-methyl-2H-1,4-benzoxazin-2-oneNSC6008207-amino-3-methyl-1,4-benzoxazin-2-oneNSC-600820
Database identifiers
- CAS
86522-40-9- PubChem CID
- 353247
- DTXSID
DTXSID10326546- Nikkaji
- J668.513G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
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Compound notes
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