CS-0001141
3-Quinolinecarbonitrile, 1,4-dihydro-8-(methylsulfinyl)-6-nitro-4-oxo-
Manufacturer: ChemScene
CAS Number: 1000676-72-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₇N₃O₄S
Molecular Weight
277.26
Synonyms
None
SMILES
N#CC(C1=O)=CNC2=C1C=C([N+]([O-])=O)C=C2S(C)=O
Tpsa
116.86
Logp
1.04538
H Acceptors
5
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1000676-72-1 | 3-Quinolinecarbonitrile, 1,4-dihydro-8-(methylsulfinyl)-6-nitro-4-oxo- | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₇N₃O₄S
Molecular Weight: 277.26
Synonyms: None
SMILES: N#CC(C1=O)=CNC2=C1C=C([N+]([O-])=O)C=C2S(C)=O
Tpsa: 116.86
Logp: 1.04538
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₇N₃O₄S
Molecular Weight:
277.26
Synonyms:
None
SMILES:
N#CC(C1=O)=CNC2=C1C=C([N+]([O-])=O)C=C2S(C)=O
Tpsa:
116.86
Logp:
1.04538
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 96%
MDL No: MFCD09743953
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₅BrN₂O
Molecular Weight: 249.06
Synonyms: 6-Bromo-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
SMILES: N#CC1=C(O)C2=CC(Br)=CC=C2N=C1
Tpsa: 56.91
Logp: 2.57458
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
96%
MDL No:
MFCD09743953
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₅BrN₂O
Molecular Weight:
249.06
Synonyms:
6-Bromo-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
SMILES:
N#CC1=C(O)C2=CC(Br)=CC=C2N=C1
Tpsa:
56.91
Logp:
2.57458
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD13181087
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₅BrN₂O
Molecular Weight: 249.06
Synonyms: 7-bromo-4-oxo-1H-quinoline-3-carbonitrile
SMILES: N#CC1=C(O)C2=CC=C(Br)C=C2N=C1
Tpsa: 56.91
Logp: 2.57458
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD13181087
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₅BrN₂O
Molecular Weight:
249.06
Synonyms:
7-bromo-4-oxo-1H-quinoline-3-carbonitrile
SMILES:
N#CC1=C(O)C2=CC=C(Br)C=C2N=C1
Tpsa:
56.91
Logp:
2.57458
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD00498955
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₄F₂N₂O
Molecular Weight: 206.15
Synonyms: 6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile
SMILES: N#CC1=CNC(C=C2F)=C(C=C2F)C1=O
Tpsa: 56.65
Logp: 1.67798
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD00498955
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₄F₂N₂O
Molecular Weight:
206.15
Synonyms:
6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile
SMILES:
N#CC1=CNC(C=C2F)=C(C=C2F)C1=O
Tpsa:
56.65
Logp:
1.67798
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0