Basic information
- CAS
10155-52-9- Standard SMILES
CC1=NN(CCOC(=O)Nc2ccccc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1Cl- InChIKey
TVLFDYXFHZZILW-UHFFFAOYSA-N- Molecular formula
- C19H17ClN6O5
- Average molar mass
- 444.8 g/mol
- Monoisotopic mass
- 444.0948954
Names & identifiers
- Preferred name
- 2-[4-[(2-Chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-3-oxo-3H-pyrazol-2-YL]ethyl carbanilate
- IUPAC
- 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]ethyl N-phenylcarbamate
- English name
- 2-[4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-3-oxo-3H-pyrazol-2-yl]ethyl carbanilate
- Molecular formula
- C19H17ClN6O5
- Molecular weight
- 444.83
Names & synonyms
10155-52-92-[4-[(2-CHLORO-4-NITROPHENYL)AZO]-2,4-DIHYDRO-5-METHYL-3-OXO-3H-PYRAZOL-2-YL]ETHYL CARBANILATE2-(4-((2-Chloro-4-nitrophenyl)azo)-2,4-dihydro-5-methyl-3-oxo-3H-pyrazol-2-yl)ethyl carbanilateEINECS 233-429-9TVLFDYXFHZZILW-UHFFFAOYSA-N2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]ethyl N-phenylcarbamateDTXSID601106219NS000438384-[2-(2-Chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-[2-[[(phenylamino)carbonyl]oxy]ethyl]-3H-pyrazol-3-one4-(2-Chloro-4-nitrophenylazo)-2,4-dihydro-5-methyl-2-[2-(phenylaminocarbonyloxy)ethyl]-3H-pyrazol-3-one3H-Pyrazol-3-one, 4-[2-(2-chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-[2-[[(phenylamino)carbonyl]oxy]ethyl]-
Database identifiers
- CAS
10155-52-9- PubChem CID
- 112016
- DTXSID
DTXSID601106219- EC Number
- 233-429-9
- Nikkaji
- J227.078A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 13.54 · 13.54±0.70(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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