CS-1062999
1-(2,2-Difluoroethyl)-4-(prop-1-yn-1-yl)-1H-pyrazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2572419-63-5
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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
C₉H₈F₂N₂O₂
Molecular Weight
214.17
Synonyms
None
SMILES
O=C(O)C1=NN(C=C1C#CC)CC(F)F
Tpsa
55.12
Logp
1.2178
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: C₉H₈F₂N₂O₂
Molecular Weight: 214.17
Synonyms: None
SMILES: O=C(O)C1=NN(C=C1C#CC)CC(F)F
Tpsa: 55.12
Logp: 1.2178
H Acceptors: 3
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:
C₉H₈F₂N₂O₂
Molecular Weight:
214.17
Synonyms:
None
SMILES:
O=C(O)C1=NN(C=C1C#CC)CC(F)F
Tpsa:
55.12
Logp:
1.2178
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00949117
Storage: 4°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₅ClFN₃O₄
Molecular Weight: 437.89
Synonyms: BAY 12-8039
SMILES: O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N(C4)C[C@]5([H])[C@@]4([H])CCCN5)=C3OC)C1=O)O.Cl
Tpsa: 83.8
Logp: 2.7923
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00949117
Storage:
4°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₅ClFN₃O₄
Molecular Weight:
437.89
Synonyms:
BAY 12-8039
SMILES:
O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N(C4)C[C@]5([H])[C@@]4([H])CCCN5)=C3OC)C1=O)O.Cl
Tpsa:
83.8
Logp:
2.7923
H Acceptors:
6
H Donors:
2
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: C₁₆H₁₉N₃O₂
Molecular Weight: 285.34
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1C=NC=2C=CC(C#CCCN)=CC21
Tpsa: 70.14
Logp: 2.5198
H Acceptors: 5
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:
C₁₆H₁₉N₃O₂
Molecular Weight:
285.34
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1C=NC=2C=CC(C#CCCN)=CC21
Tpsa:
70.14
Logp:
2.5198
H Acceptors:
5
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: C₁₁H₁₈N₂O₂S
Molecular Weight: 242.34
Synonyms: None
SMILES: O=C(OCC)C=1SC(=NC1)CCCN(C)C
Tpsa: 42.43
Logp: 1.814
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₈N₂O₂S
Molecular Weight:
242.34
Synonyms:
None
SMILES:
O=C(OCC)C=1SC(=NC1)CCCN(C)C
Tpsa:
42.43
Logp:
1.814
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6