CS-0907237
3-Cyano-2-(trifluoromethyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1227578-90-6
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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
C₉H₄F₃NO₂
Molecular Weight
215.13
Synonyms
None
SMILES
O=C(O)C1=CC=CC(C#N)=C1C(F)(F)F
Tpsa
61.09
Logp
2.27528
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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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: C₉H₄F₃NO₂
Molecular Weight: 215.13
Synonyms: None
SMILES: O=C(O)C1=CC=CC(C#N)=C1C(F)(F)F
Tpsa: 61.09
Logp: 2.27528
H Acceptors: 2
H Donors: 1
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:
C₉H₄F₃NO₂
Molecular Weight:
215.13
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(C#N)=C1C(F)(F)F
Tpsa:
61.09
Logp:
2.27528
H Acceptors:
2
H Donors:
1
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: C₉H₆FNO₂
Molecular Weight: 179.15
Synonyms: None
SMILES: O=C(O)CC1=CC=CC(C#N)=C1F
Tpsa: 61.09
Logp: 1.32448
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:
C₉H₆FNO₂
Molecular Weight:
179.15
Synonyms:
None
SMILES:
O=C(O)CC1=CC=CC(C#N)=C1F
Tpsa:
61.09
Logp:
1.32448
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: C₉H₉BrClNO₂
Molecular Weight: 278.53
Synonyms: None
SMILES: O=C(C1=CC(Cl)=NC=C1CBr)OCC
Tpsa: 39.19
Logp: 2.8066
H Acceptors: 3
H Donors: 0
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:
C₉H₉BrClNO₂
Molecular Weight:
278.53
Synonyms:
None
SMILES:
O=C(C1=CC(Cl)=NC=C1CBr)OCC
Tpsa:
39.19
Logp:
2.8066
H Acceptors:
3
H Donors:
0
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: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: None
SMILES: O=C(O)C(O)CC1=CC=CC(C#N)=C1
Tpsa: 81.32
Logp: 0.54628
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
None
SMILES:
O=C(O)C(O)CC1=CC=CC(C#N)=C1
Tpsa:
81.32
Logp:
0.54628
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3