CS-0643812
1,6-Dihydro-6-oxo-5-(trifluoromethyl)-3-pyridineacetic acid
Manufacturer: ChemScene
CAS Number: 1806530-96-0
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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
C₈H₆F₃NO₃
Molecular Weight
221.13
Synonyms
None
SMILES
O=C(O)CC(C=C1C(F)(F)F)=CNC1=O
Tpsa
70.16
Logp
1.0208
H Acceptors
2
H Donors
2
Rotatable Bonds
2
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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: C₈H₆F₃NO₃
Molecular Weight: 221.13
Synonyms: None
SMILES: O=C(O)CC(C=C1C(F)(F)F)=CNC1=O
Tpsa: 70.16
Logp: 1.0208
H Acceptors: 2
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:
C₈H₆F₃NO₃
Molecular Weight:
221.13
Synonyms:
None
SMILES:
O=C(O)CC(C=C1C(F)(F)F)=CNC1=O
Tpsa:
70.16
Logp:
1.0208
H Acceptors:
2
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: C₆H₆ClNO₂
Molecular Weight: 159.57
Synonyms: None
SMILES: CC1=CC(C(CCl)=O)=NO1
Tpsa: 43.1
Logp: 1.40452
H Acceptors: 3
H Donors: 0
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:
C₆H₆ClNO₂
Molecular Weight:
159.57
Synonyms:
None
SMILES:
CC1=CC(C(CCl)=O)=NO1
Tpsa:
43.1
Logp:
1.40452
H Acceptors:
3
H Donors:
0
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: C₉H₆N₂O₄S
Molecular Weight: 238.22
Synonyms: None
SMILES: O=C(C1=NC2=CC=C([N+]([O-])=O)C=C2S1)OC
Tpsa: 82.33
Logp: 1.9911
H Acceptors: 6
H Donors: 0
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:
C₉H₆N₂O₄S
Molecular Weight:
238.22
Synonyms:
None
SMILES:
O=C(C1=NC2=CC=C([N+]([O-])=O)C=C2S1)OC
Tpsa:
82.33
Logp:
1.9911
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD30345321
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃ClN₂O₂S
Molecular Weight: 248.73
Synonyms: None
SMILES: O=S(C1=CN=C(CC)N1CC2CC2)(Cl)=O
Tpsa: 51.96
Logp: 1.783
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD30345321
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃ClN₂O₂S
Molecular Weight:
248.73
Synonyms:
None
SMILES:
O=S(C1=CN=C(CC)N1CC2CC2)(Cl)=O
Tpsa:
51.96
Logp:
1.783
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4