CS-0775169
(1-(4-Methoxy-4-oxobutyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)boronic acid
Manufacturer: ChemScene
CAS Number: 2426630-70-6
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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
C₉H₁₂BF₃N₂O₄
Molecular Weight
280.01
Synonyms
None
SMILES
O=C(CCCN1N=C(C(F)(F)F)C(B(O)O)=C1)OC
Tpsa
84.58
Logp
-0.4651
H Acceptors
6
H Donors
2
Rotatable Bonds
5
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: C₉H₁₂BF₃N₂O₄
Molecular Weight: 280.01
Synonyms: None
SMILES: O=C(CCCN1N=C(C(F)(F)F)C(B(O)O)=C1)OC
Tpsa: 84.58
Logp: -0.4651
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂BF₃N₂O₄
Molecular Weight:
280.01
Synonyms:
None
SMILES:
O=C(CCCN1N=C(C(F)(F)F)C(B(O)O)=C1)OC
Tpsa:
84.58
Logp:
-0.4651
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀N₂O₄
Molecular Weight: 280.32
Synonyms: None
SMILES: O=C(OC(C)(C)C)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O
Tpsa: 101.65
Logp: 1.3133
H Acceptors: 4
H Donors: 3
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:
C₁₄H₂₀N₂O₄
Molecular Weight:
280.32
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O
Tpsa:
101.65
Logp:
1.3133
H Acceptors:
4
H Donors:
3
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: C₇H₁₁BrN₂O₂
Molecular Weight: 235.08
Synonyms: None
SMILES: OCC1=NN(CCOC)C=C1Br
Tpsa: 47.28
Logp: 0.7843
H Acceptors: 4
H Donors: 1
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:
C₇H₁₁BrN₂O₂
Molecular Weight:
235.08
Synonyms:
None
SMILES:
OCC1=NN(CCOC)C=C1Br
Tpsa:
47.28
Logp:
0.7843
H Acceptors:
4
H Donors:
1
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: C₁₂H₂₀NO₂P
Molecular Weight: 241.27
Synonyms: None
SMILES: OCCCCC1=CC=C(N)C(P(C)(C)=O)=C1
Tpsa: 63.32
Logp: 1.8318
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₀NO₂P
Molecular Weight:
241.27
Synonyms:
None
SMILES:
OCCCCC1=CC=C(N)C(P(C)(C)=O)=C1
Tpsa:
63.32
Logp:
1.8318
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5