Basic information
- CAS
1090-16-0- Standard SMILES
O=C1C(Cl)=C(Nc2ccccc2)C(=O)c2ccccc21- InChIKey
CIWCIDRTACZSAZ-UHFFFAOYSA-N- Molecular formula
- C16H10ClNO2
- Average molar mass
- 283.71 g/mol
- Monoisotopic mass
- 283.0400063
Names & identifiers
- Preferred name
- 2-Anilino-3-chloro-1,4-naphthoquinone
- IUPAC
- 2-anilino-3-chloronaphthalene-1,4-dione
- English name
- 3-anilino-2-chloro-1,4-naphthoquinone
- Molecular formula
- C16H10ClNO2
- Molecular weight
- 283.71
Names & synonyms
1090-16-02-Anilino-3-chloro-1,4-naphthoquinone1,4-NAPHTHOQUINONE, 2-ANILINO-3-CHLORO-DTXSID40148793RefChem:1062263DTXCID70712842-chloro-3-(phenylamino)naphthalene-1,4-dione2-anilino-3-chloronaphthalene-1,4-dione3-Anilino-2-chloro-1,4-naphthoquinone2-Chloro-3-(phenylamino)-1,4-naphthoquinone2-chloro-3-(phenylamino)-1,4-dihydronaphthalene-1,4-dioneMLS000588884
Show more names
1,4-Naphthalenedione, 2-chloro-3-(phenylamino)-
MFCD00010250SMR0002125332-anilino-3-chloro-naphthalene-1,4-dione2-Chloro-3-phenylamino-[1,4]naphthoquinoneNSC 4285BRN 1981676NSC42854-14-00-00405 (Beilstein Handbook Reference)
Database identifiers
- CAS
1090-16-0- PubChem CID
- 14161
- DTXSID
DTXSID40148793- ChEMBL
CHEMBL155563- EC Number
- 104-567-6
- Nikkaji
- J236.138H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 451
Experimental & physicochemical properties
LogP4.22
Physicochemical properties
- Melting point
- 214 · 214-216 °C
- Boiling point
- 408.3 · 408.3±45.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- -2.51 · -2.51±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MATRIX[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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