CS-0254210
3-(1,1-Difluoroethyl)isoxazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2452464-87-6
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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
C₆H₅F₂NO₃
Molecular Weight
177.11
Synonyms
None
SMILES
O=C(C1=CON=C1C(F)(F)C)O
Tpsa
63.33
Logp
1.4845
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
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: C₆H₅F₂NO₃
Molecular Weight: 177.11
Synonyms: None
SMILES: O=C(C1=CON=C1C(F)(F)C)O
Tpsa: 63.33
Logp: 1.4845
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:
C₆H₅F₂NO₃
Molecular Weight:
177.11
Synonyms:
None
SMILES:
O=C(C1=CON=C1C(F)(F)C)O
Tpsa:
63.33
Logp:
1.4845
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: C₅H₄FNO₃
Molecular Weight: 145.09
Synonyms: None
SMILES: O=C(C1=CON=C1CF)O
Tpsa: 63.33
Logp: 0.8423
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:
C₅H₄FNO₃
Molecular Weight:
145.09
Synonyms:
None
SMILES:
O=C(C1=CON=C1CF)O
Tpsa:
63.33
Logp:
0.8423
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: C₁₂H₁₈N₂O₄S
Molecular Weight: 286.35
Synonyms: None
SMILES: O=S(O)(C1=CC=C(C=C1)C)=O.O=C2[C@@H](CCN2C)N
Tpsa: 100.7
Logp: 0.41752
H Acceptors: 4
H Donors: 2
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:
C₁₂H₁₈N₂O₄S
Molecular Weight:
286.35
Synonyms:
None
SMILES:
O=S(O)(C1=CC=C(C=C1)C)=O.O=C2[C@@H](CCN2C)N
Tpsa:
100.7
Logp:
0.41752
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₈N₂O₃
Molecular Weight: 214.26
Synonyms: Carbamic acid, [(3R)-1-methyl-2-oxo-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)N[C@H]1C(N(C)CC1)=O
Tpsa: 58.64
Logp: 0.7418
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₈N₂O₃
Molecular Weight:
214.26
Synonyms:
Carbamic acid, [(3R)-1-methyl-2-oxo-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)N[C@H]1C(N(C)CC1)=O
Tpsa:
58.64
Logp:
0.7418
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1