CS-1052337
2-(5-Hydroxy-2-(trifluoromethyl)phenyl)acetonitrile
Manufacturer: ChemScene
CAS Number: 1261776-54-8
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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(O)=CC=C1C(F)(F)F
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(O)=CC=C1C(F)(F)F
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(O)=CC=C1C(F)(F)F
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: C₉H₁₆ClNO₂
Molecular Weight: 205.68
Synonyms: None
SMILES: COC([C@]1(C(CCNC1)=C)C)=O.Cl
Tpsa: 38.33
Logp: 1.137
H Acceptors: 3
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:
C₉H₁₆ClNO₂
Molecular Weight:
205.68
Synonyms:
None
SMILES:
COC([C@]1(C(CCNC1)=C)C)=O.Cl
Tpsa:
38.33
Logp:
1.137
H Acceptors:
3
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: C₉H₁₃NO₂S
Molecular Weight: 199.27
Synonyms: None
SMILES: O=C(C1=C(CC(C)(O)C)SC=C1)N
Tpsa: 63.32
Logp: 1.1604
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:
C₉H₁₃NO₂S
Molecular Weight:
199.27
Synonyms:
None
SMILES:
O=C(C1=C(CC(C)(O)C)SC=C1)N
Tpsa:
63.32
Logp:
1.1604
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: C₉H₆F₃NO
Molecular Weight: 201.15
Synonyms: None
SMILES: FC(C1=NC=C(C#C)C=C1OC)(F)F
Tpsa: 22.12
Logp: 2.0903
H Acceptors: 2
H Donors: 0
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:
FC(C1=NC=C(C#C)C=C1OC)(F)F
Tpsa:
22.12
Logp:
2.0903
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1