1,2,4-Trichloro-7-nitro-3H-phenoxazin-3-one
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Basic information
- CAS
13437-03-1- Standard SMILES
O=c1c(Cl)c2oc3cc([N+](=O)[O-])ccc3nc-2c(Cl)c1Cl- InChIKey
LJRBOQLUSYCVQA-UHFFFAOYSA-N- Molecular formula
- C12H3Cl3N2O4
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 343.91584
Names & identifiers
- Preferred name
- 1,2,4-Trichloro-7-nitro-3H-phenoxazin-3-one
- IUPAC
- 1,2,4-trichloro-7-nitrophenoxazin-3-one
- English name
- 1,2,4-trichloro-7-nitro-3H-phenoxazin-3-one
- Molecular formula
- C12H3Cl3N2O4
- Molecular weight
- 345.52222
Names & synonyms
1,2,4-Trichloro-7-nitro-3H-phenoxazin-3-one13437-03-1JX9HS8NWE3EINECS 236-573-0NSC-232087DTXSID00158676NSC 2320873H-Phenoxazin-3-one, 1,2,4-trichloro-7-nitro-1,2,4-TRICHLORO-7-NITRO-3H-ISOPHENOXAZIN-3-ONERefChem:71548DTXCID2081167236-573-0
Show more names
1,2,4-trichloro-7-nitrophenoxazin-3-oneNSC232087UNII-JX9HS8NWE3SCHEMBL10787095LJRBOQLUSYCVQA-UHFFFAOYSA-NNS00024342
Database identifiers
- CAS
13437-03-1- PubChem CID
- 83450
- DTXSID
DTXSID00158676- UNII
- JX9HS8NWE3
- EC Number
- 236-573-0
- Nikkaji
- J317.885D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 635
Physicochemical properties
- FDA UNII
- 9 HS8NWE3 · JX9HS8NWE3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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