CS-0498528
3-(2,2-Difluoroethyl)isoxazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2452464-95-6
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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=C1CC(F)F)O
Tpsa
63.33
Logp
1.1804
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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=C1CC(F)F)O
Tpsa: 63.33
Logp: 1.1804
H Acceptors: 3
H Donors: 1
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:
C₆H₅F₂NO₃
Molecular Weight:
177.11
Synonyms:
None
SMILES:
O=C(C1=CON=C1CC(F)F)O
Tpsa:
63.33
Logp:
1.1804
H Acceptors:
3
H Donors:
1
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: C₁₁H₁₈O₄
Molecular Weight: 214.26
Synonyms: None
SMILES: O=C(C1(C)CCC(C(O)=O)(C)CC1)OC
Tpsa: 63.6
Logp: 1.8306
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:
C₁₁H₁₈O₄
Molecular Weight:
214.26
Synonyms:
None
SMILES:
O=C(C1(C)CCC(C(O)=O)(C)CC1)OC
Tpsa:
63.6
Logp:
1.8306
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: C₁₅H₂₉N₃O₃
Molecular Weight: 299.41
Synonyms: None
SMILES: CC(C)(C)OC(N[C@@H]1CN(C2CCNCC2)C[C@H]1OC)=O
Tpsa: 62.83
Logp: 0.9623
H Acceptors: 5
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:
C₁₅H₂₉N₃O₃
Molecular Weight:
299.41
Synonyms:
None
SMILES:
CC(C)(C)OC(N[C@@H]1CN(C2CCNCC2)C[C@H]1OC)=O
Tpsa:
62.83
Logp:
0.9623
H Acceptors:
5
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: C₁₂H₁₃ClN₂
Molecular Weight: 220.70
Synonyms: None
SMILES: N#CC1=C(Cl)N=C(CCC)C2=C1CCC2
Tpsa: 36.68
Logp: 3.04788
H Acceptors: 2
H Donors: 0
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:
C₁₂H₁₃ClN₂
Molecular Weight:
220.70
Synonyms:
None
SMILES:
N#CC1=C(Cl)N=C(CCC)C2=C1CCC2
Tpsa:
36.68
Logp:
3.04788
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2