CS-1065150
1-Methyl-3-(3,3,3-trifluoroprop-1-yn-1-yl)-1H-pyrazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2616242-95-4
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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
C₈H₅F₃N₂O₂
Molecular Weight
218.13
Synonyms
None
SMILES
O=C(O)C1=CN(N=C1C#CC(F)(F)F)C
Tpsa
55.12
Logp
1.0321
H Acceptors
3
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: C₈H₅F₃N₂O₂
Molecular Weight: 218.13
Synonyms: None
SMILES: O=C(O)C1=CN(N=C1C#CC(F)(F)F)C
Tpsa: 55.12
Logp: 1.0321
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:
C₈H₅F₃N₂O₂
Molecular Weight:
218.13
Synonyms:
None
SMILES:
O=C(O)C1=CN(N=C1C#CC(F)(F)F)C
Tpsa:
55.12
Logp:
1.0321
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: C₈H₇ClF₂N₄
Molecular Weight: 232.62
Synonyms: None
SMILES: FC(F)(C)CC1=NC=2N=C(Cl)N=CC2N1
Tpsa: 54.46
Logp: 2.204
H Acceptors: 3
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:
C₈H₇ClF₂N₄
Molecular Weight:
232.62
Synonyms:
None
SMILES:
FC(F)(C)CC1=NC=2N=C(Cl)N=CC2N1
Tpsa:
54.46
Logp:
2.204
H Acceptors:
3
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: C₉H₈ClF₃N₄
Molecular Weight: 264.63
Synonyms: None
SMILES: FC(F)(F)C(C)CC1=NC=2N=C(Cl)N=CC2N1
Tpsa: 54.46
Logp: 2.7472
H Acceptors: 3
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:
C₉H₈ClF₃N₄
Molecular Weight:
264.63
Synonyms:
None
SMILES:
FC(F)(F)C(C)CC1=NC=2N=C(Cl)N=CC2N1
Tpsa:
54.46
Logp:
2.7472
H Acceptors:
3
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: C₁₂H₉BrN₂O
Molecular Weight: 277.12
Synonyms: None
SMILES: BrCC#CC=1C=NC(OC)=C2C=CC=NC12
Tpsa: 35.01
Logp: 2.3848
H Acceptors: 3
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:
C₁₂H₉BrN₂O
Molecular Weight:
277.12
Synonyms:
None
SMILES:
BrCC#CC=1C=NC(OC)=C2C=CC=NC12
Tpsa:
35.01
Logp:
2.3848
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1