CS-1052345
2-(2-Hydroxy-5-(trifluoromethyl)phenyl)acetonitrile
Manufacturer: ChemScene
CAS Number: 1026795-80-1
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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
C₉H₆F₃NO
Molecular Weight
201.15
Synonyms
None
SMILES
N#CCC1=CC(C(F)(F)F)=CC=C1O
Tpsa
44.02
Logp
2.47708
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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: C₉H₆F₃NO
Molecular Weight: 201.15
Synonyms: None
SMILES: N#CCC1=CC(C(F)(F)F)=CC=C1O
Tpsa: 44.02
Logp: 2.47708
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:
C₉H₆F₃NO
Molecular Weight:
201.15
Synonyms:
None
SMILES:
N#CCC1=CC(C(F)(F)F)=CC=C1O
Tpsa:
44.02
Logp:
2.47708
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: C₈H₁₃F₂N
Molecular Weight: 161.19
Synonyms: None
SMILES: FC1(F)CNC2(CCCC2)C1
Tpsa: 12.03
Logp: 1.9278
H Acceptors: 1
H Donors: 1
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:
C₈H₁₃F₂N
Molecular Weight:
161.19
Synonyms:
None
SMILES:
FC1(F)CNC2(CCCC2)C1
Tpsa:
12.03
Logp:
1.9278
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈F₂O
Molecular Weight: 122.11
Synonyms: None
SMILES: F[C@@H]1[C@@H](F)CCOC1
Tpsa: 9.23
Logp: 1.0829
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈F₂O
Molecular Weight:
122.11
Synonyms:
None
SMILES:
F[C@@H]1[C@@H](F)CCOC1
Tpsa:
9.23
Logp:
1.0829
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₆ClN₃O₃
Molecular Weight: 379.88
Synonyms: SKF 94482 (hydrochloride)
SMILES: O=C1C(C(NCCCOC2=CC=CC(CN3CCCCC3)=C2)=C1N)=O.Cl
Tpsa: 84.66
Logp: 2.1535
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 8
Purity:
97%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₆ClN₃O₃
Molecular Weight:
379.88
Synonyms:
SKF 94482 (hydrochloride)
SMILES:
O=C1C(C(NCCCOC2=CC=CC(CN3CCCCC3)=C2)=C1N)=O.Cl
Tpsa:
84.66
Logp:
2.1535
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8