CS-0756872
[3-(2-Cyano-4-ethylsulfonylphenyl)-4-fluorophenyl] trifluoromethanesulfonate
Manufacturer: ChemScene
CAS Number: 1614246-81-9
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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
C₁₆H₁₁F₄NO₅S₂
Molecular Weight
437.39
Synonyms
None
SMILES
CCS(=O)(=O)C1=CC(C#N)=C(C=C1)C1=C(F)C=CC(OS(=O)(=O)C(F)(F)F)=C1
Tpsa
101.3
Logp
3.38638
H Acceptors
6
H Donors
0
Rotatable Bonds
5
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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: C₁₆H₁₁F₄NO₅S₂
Molecular Weight: 437.39
Synonyms: None
SMILES: CCS(=O)(=O)C1=CC(C#N)=C(C=C1)C1=C(F)C=CC(OS(=O)(=O)C(F)(F)F)=C1
Tpsa: 101.3
Logp: 3.38638
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₁F₄NO₅S₂
Molecular Weight:
437.39
Synonyms:
None
SMILES:
CCS(=O)(=O)C1=CC(C#N)=C(C=C1)C1=C(F)C=CC(OS(=O)(=O)C(F)(F)F)=C1
Tpsa:
101.3
Logp:
3.38638
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂BNO₅
Molecular Weight: 225.01
Synonyms: None
SMILES: CCOC(=O)C1=NC=C(OC)C(=C1)B(O)O
Tpsa: 88.88
Logp: -1.0533
H Acceptors: 6
H Donors: 2
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:
C₉H₁₂BNO₅
Molecular Weight:
225.01
Synonyms:
None
SMILES:
CCOC(=O)C1=NC=C(OC)C(=C1)B(O)O
Tpsa:
88.88
Logp:
-1.0533
H Acceptors:
6
H Donors:
2
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: C₁₂H₂₂N₂O₃
Molecular Weight: 242.31
Synonyms: None
SMILES: CN1CCOC2CN(CC12)C(=O)OC(C)(C)C
Tpsa: 42.01
Logp: 0.9363
H Acceptors: 4
H Donors: 0
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:
C₁₂H₂₂N₂O₃
Molecular Weight:
242.31
Synonyms:
None
SMILES:
CN1CCOC2CN(CC12)C(=O)OC(C)(C)C
Tpsa:
42.01
Logp:
0.9363
H Acceptors:
4
H Donors:
0
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: C₁₇H₁₉N₃O₆
Molecular Weight: 361.35
Synonyms: None
SMILES: CO[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O
Tpsa: 122.91
Logp: -0.2388
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₉N₃O₆
Molecular Weight:
361.35
Synonyms:
None
SMILES:
CO[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O
Tpsa:
122.91
Logp:
-0.2388
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
5