CS-0797794
2-Cyano-3-hydroxy-N-[3-(trifluoromethyl)phenyl]-2-butenamide
Manufacturer: ChemScene
CAS Number: 62004-05-1
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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
C₁₂H₉F₃N₂O₂
Molecular Weight
270.21
Synonyms
None
SMILES
O=C(/C(C#N)=C(O)\C)NC1=CC(C(F)(F)F)=CC=C1
Tpsa
73.12
Logp
2.99948
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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: C₁₂H₉F₃N₂O₂
Molecular Weight: 270.21
Synonyms: None
SMILES: O=C(/C(C#N)=C(O)\C)NC1=CC(C(F)(F)F)=CC=C1
Tpsa: 73.12
Logp: 2.99948
H Acceptors: 3
H Donors: 2
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:
C₁₂H₉F₃N₂O₂
Molecular Weight:
270.21
Synonyms:
None
SMILES:
O=C(/C(C#N)=C(O)\C)NC1=CC(C(F)(F)F)=CC=C1
Tpsa:
73.12
Logp:
2.99948
H Acceptors:
3
H Donors:
2
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: C₂₈H₂₇NO₅
Molecular Weight: 457.52
Synonyms: None
SMILES: O=C(CCC1C(C=CC=C2)=C2C3=C1C=CC=C3)N[C@]([C@H](O)C)([H])C(OCC(C4=CC=CC=C4)=O)=O
Tpsa: 92.7
Logp: 3.8708
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₇NO₅
Molecular Weight:
457.52
Synonyms:
None
SMILES:
O=C(CCC1C(C=CC=C2)=C2C3=C1C=CC=C3)N[C@]([C@H](O)C)([H])C(OCC(C4=CC=CC=C4)=O)=O
Tpsa:
92.7
Logp:
3.8708
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
9
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₃NO₂
Molecular Weight: 155.19
Synonyms: None
SMILES: OC[C@H]1C=C[C@@H](NC(C)=O)C1
Tpsa: 49.33
Logp: 0.0595
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₃NO₂
Molecular Weight:
155.19
Synonyms:
None
SMILES:
OC[C@H]1C=C[C@@H](NC(C)=O)C1
Tpsa:
49.33
Logp:
0.0595
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₆F₃NO₂
Molecular Weight: 229.16
Synonyms: None
SMILES: FC(F)(F)CN(C1=O)C(C2=C1C=CC=C2)=O
Tpsa: 37.38
Logp: 1.8449
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₆F₃NO₂
Molecular Weight:
229.16
Synonyms:
None
SMILES:
FC(F)(F)CN(C1=O)C(C2=C1C=CC=C2)=O
Tpsa:
37.38
Logp:
1.8449
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1