CS-0878294
6-(2,2,2-Trifluoroacetyl)nicotinonitrile
Manufacturer: ChemScene
CAS Number: 1060804-08-1
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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
C₈H₃F₃N₂O
Molecular Weight
200.12
Synonyms
None
SMILES
N#CC1=CN=C(C(C(F)(F)F)=O)C=C1
Tpsa
53.75
Logp
1.69828
H Acceptors
3
H Donors
0
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₈H₃F₃N₂O
Molecular Weight: 200.12
Synonyms: None
SMILES: N#CC1=CN=C(C(C(F)(F)F)=O)C=C1
Tpsa: 53.75
Logp: 1.69828
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₃F₃N₂O
Molecular Weight:
200.12
Synonyms:
None
SMILES:
N#CC1=CN=C(C(C(F)(F)F)=O)C=C1
Tpsa:
53.75
Logp:
1.69828
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂O₄
Molecular Weight: 220.22
Synonyms: None
SMILES: CC(=O)C12CCC(C=C1)C3C2C(=O)OC3=O
Tpsa: 60.44
Logp: 0.8574
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂O₄
Molecular Weight:
220.22
Synonyms:
None
SMILES:
CC(=O)C12CCC(C=C1)C3C2C(=O)OC3=O
Tpsa:
60.44
Logp:
0.8574
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₇N₃O
Molecular Weight: 255.31
Synonyms: None
SMILES: COC1=CC(=C2C(=C1)C=CC=N2)NCCCCC#N
Tpsa: 57.94
Logp: 3.34918
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₇N₃O
Molecular Weight:
255.31
Synonyms:
None
SMILES:
COC1=CC(=C2C(=C1)C=CC=N2)NCCCCC#N
Tpsa:
57.94
Logp:
3.34918
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₄O₁₂P₂
Molecular Weight: 340.12
Synonyms: None
SMILES: O=P(O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)OP(O)(O)=O)O
Tpsa: 354.44
Logp: -2.9526
H Acceptors: 12
H Donors: 12
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₄O₁₂P₂
Molecular Weight:
340.12
Synonyms:
None
SMILES:
O=P(O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)OP(O)(O)=O)O
Tpsa:
354.44
Logp:
-2.9526
H Acceptors:
12
H Donors:
12
Rotatable Bonds:
4