Basic information
- CAS
102873-10-9- Standard SMILES
CC1(C)COc2cc([N+](=O)[O-])cc(N)c2N1- InChIKey
ASQOZIZTWOUUMA-UHFFFAOYSA-N- Molecular formula
- C10H13N3O3
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.09569129
Names & identifiers
- Preferred name
- 3,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amine
- IUPAC
- 3,3-dimethyl-7-nitro-2,4-dihydro-1,4-benzoxazin-5-amine
Names & synonyms
NSC139946DTXSID3011943183,4-Dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzoxazin-5-amineNSC-139946102873-10-93,3-Dimethyl-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-5-amine
Database identifiers
- CAS
102873-10-9- PubChem CID
- 3988950
- DTXSID
DTXSID301194318
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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