CS-0498534
3-(2,2,2-Trifluoroethyl)isoxazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1779905-44-0
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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
C₆H₄F₃NO₃
Molecular Weight
195.10
Synonyms
None
SMILES
O=C(C1=CON=C1CC(F)(F)F)O
Tpsa
63.33
Logp
1.4776
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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
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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: C₆H₄F₃NO₃
Molecular Weight: 195.10
Synonyms: None
SMILES: O=C(C1=CON=C1CC(F)(F)F)O
Tpsa: 63.33
Logp: 1.4776
H Acceptors: 3
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:
C₆H₄F₃NO₃
Molecular Weight:
195.10
Synonyms:
None
SMILES:
O=C(C1=CON=C1CC(F)(F)F)O
Tpsa:
63.33
Logp:
1.4776
H Acceptors:
3
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: C₆H₉NO₄
Molecular Weight: 159.14
Synonyms: None
SMILES: O=C(O)CC[C@H]1NC(OC1)=O
Tpsa: 75.63
Logp: -0.0404
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₉NO₄
Molecular Weight:
159.14
Synonyms:
None
SMILES:
O=C(O)CC[C@H]1NC(OC1)=O
Tpsa:
75.63
Logp:
-0.0404
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃ClN₂O₂
Molecular Weight: 252.70
Synonyms: None
SMILES: O=C(C1=CC(C#N)=C(Cl)N=C1CCC)OCC
Tpsa: 62.98
Logp: 2.73588
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃ClN₂O₂
Molecular Weight:
252.70
Synonyms:
None
SMILES:
O=C(C1=CC(C#N)=C(Cl)N=C1CCC)OCC
Tpsa:
62.98
Logp:
2.73588
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₂Br₂N₄O
Molecular Weight: 293.90
Synonyms: None
SMILES: O=C1N=CNN2C1=C(Br)N=C2Br
Tpsa: 63.05
Logp: 0.9426
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₂Br₂N₄O
Molecular Weight:
293.90
Synonyms:
None
SMILES:
O=C1N=CNN2C1=C(Br)N=C2Br
Tpsa:
63.05
Logp:
0.9426
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0