CS-0614662
3-(2-Cyanopropan-2-yl)-5-(trifluoromethoxy)benzoic acid, sodium salt
Manufacturer: ChemScene
CAS Number: 2694009-72-6
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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
C₁₂H₁₁F₃NNaO₃
Molecular Weight
297.21
Synonyms
None
SMILES
N#CC(C)(C)C1=CC(C(O)=O)=CC(OC(F)(F)F)=C1.[NaH]
Tpsa
70.32
Logp
2.43608
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: C₁₂H₁₁F₃NNaO₃
Molecular Weight: 297.21
Synonyms: None
SMILES: N#CC(C)(C)C1=CC(C(O)=O)=CC(OC(F)(F)F)=C1.[NaH]
Tpsa: 70.32
Logp: 2.43608
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:
C₁₂H₁₁F₃NNaO₃
Molecular Weight:
297.21
Synonyms:
None
SMILES:
N#CC(C)(C)C1=CC(C(O)=O)=CC(OC(F)(F)F)=C1.[NaH]
Tpsa:
70.32
Logp:
2.43608
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: C₉H₉ClO₄S
Molecular Weight: 248.68
Synonyms: None
SMILES: O=C(O)C1=CC(CS(=O)(C)=O)=CC(Cl)=C1
Tpsa: 71.44
Logp: 1.5828
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:
C₉H₉ClO₄S
Molecular Weight:
248.68
Synonyms:
None
SMILES:
O=C(O)C1=CC(CS(=O)(C)=O)=CC(Cl)=C1
Tpsa:
71.44
Logp:
1.5828
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: C₁₀H₁₂O₅S
Molecular Weight: 244.26
Synonyms: None
SMILES: O=C(OC)C1=CC(S(=O)(C)=O)=CC(CO)=C1
Tpsa: 80.67
Logp: 0.369
H Acceptors: 5
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:
C₁₀H₁₂O₅S
Molecular Weight:
244.26
Synonyms:
None
SMILES:
O=C(OC)C1=CC(S(=O)(C)=O)=CC(CO)=C1
Tpsa:
80.67
Logp:
0.369
H Acceptors:
5
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: C₉H₆ClNO₂
Molecular Weight: 195.60
Synonyms: None
SMILES: O=C(O)C1=CC(CC#N)=CC(Cl)=C1
Tpsa: 61.09
Logp: 2.10428
H Acceptors: 2
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:
C₉H₆ClNO₂
Molecular Weight:
195.60
Synonyms:
None
SMILES:
O=C(O)C1=CC(CC#N)=CC(Cl)=C1
Tpsa:
61.09
Logp:
2.10428
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2