CS-0548454
2-(4-Nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid
Manufacturer: ChemScene
CAS Number: 1006957-20-5
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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
C₇H₆F₃N₃O₄
Molecular Weight
253.14
Synonyms
2-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
SMILES
CC(N1N=C(C(F)(F)F)C([N+]([O-])=O)=C1)C(O)=O
Tpsa
98.26
Logp
1.4557
H Acceptors
5
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1006957-20-5 | 2-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid | A2B Chem | -- |
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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: C₇H₆F₃N₃O₄
Molecular Weight: 253.14
Synonyms: 2-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
SMILES: CC(N1N=C(C(F)(F)F)C([N+]([O-])=O)=C1)C(O)=O
Tpsa: 98.26
Logp: 1.4557
H Acceptors: 5
H Donors: 1
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:
C₇H₆F₃N₃O₄
Molecular Weight:
253.14
Synonyms:
2-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
SMILES:
CC(N1N=C(C(F)(F)F)C([N+]([O-])=O)=C1)C(O)=O
Tpsa:
98.26
Logp:
1.4557
H Acceptors:
5
H Donors:
1
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: C₁₂H₆F₃N₃O₂
Molecular Weight: 281.19
Synonyms: None
SMILES: C1=CC(=CC=C1C(=O)O)N2C(=C(C=N2)C#N)C(F)(F)F
Tpsa: 78.91
Logp: 2.46098
H Acceptors: 4
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:
C₁₂H₆F₃N₃O₂
Molecular Weight:
281.19
Synonyms:
None
SMILES:
C1=CC(=CC=C1C(=O)O)N2C(=C(C=N2)C#N)C(F)(F)F
Tpsa:
78.91
Logp:
2.46098
H Acceptors:
4
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: C₁₂H₁₄ClNOS
Molecular Weight: 255.76
Synonyms: 3-[(4-CHLOROPHENYL)SULFANYL]-4-(DIMETHYLAMINO)-3-BUTEN-2-ONE
SMILES: CC(=O)/C(=C/N(C)C)/SC1=CC=C(C=C1)Cl
Tpsa: 20.31
Logp: 3.4241
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄ClNOS
Molecular Weight:
255.76
Synonyms:
3-[(4-CHLOROPHENYL)SULFANYL]-4-(DIMETHYLAMINO)-3-BUTEN-2-ONE
SMILES:
CC(=O)/C(=C/N(C)C)/SC1=CC=C(C=C1)Cl
Tpsa:
20.31
Logp:
3.4241
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₆F₃N₃O₃S
Molecular Weight: 329.25
Synonyms: None
SMILES: C1=CC(=CC(=C1)OC2=C(N3C=CSC3=N2)[N+](=O)[O-])C(F)(F)F
Tpsa: 69.67
Logp: 4.1151
H Acceptors: 6
H Donors: 0
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:
C₁₂H₆F₃N₃O₃S
Molecular Weight:
329.25
Synonyms:
None
SMILES:
C1=CC(=CC(=C1)OC2=C(N3C=CSC3=N2)[N+](=O)[O-])C(F)(F)F
Tpsa:
69.67
Logp:
4.1151
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3