CS-1076184
(S)-(5-Amino-4-cyano-1-(1,1,1-trifluoropropan-2-yl)-1H-pyrazol-3-yl)boronic acid
Manufacturer: ChemScene
CAS Number: 2764851-21-8
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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
C₇H₈BF₃N₄O₂
Molecular Weight
247.97
Synonyms
None
SMILES
[C@@H](C(F)(F)F)(C)N1C(N)=C(C#N)C(B(O)O)=N1
Tpsa
108.09
Logp
-0.85992
H Acceptors
6
H Donors
3
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: C₇H₈BF₃N₄O₂
Molecular Weight: 247.97
Synonyms: None
SMILES: [C@@H](C(F)(F)F)(C)N1C(N)=C(C#N)C(B(O)O)=N1
Tpsa: 108.09
Logp: -0.85992
H Acceptors: 6
H Donors: 3
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:
C₇H₈BF₃N₄O₂
Molecular Weight:
247.97
Synonyms:
None
SMILES:
[C@@H](C(F)(F)F)(C)N1C(N)=C(C#N)C(B(O)O)=N1
Tpsa:
108.09
Logp:
-0.85992
H Acceptors:
6
H Donors:
3
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: C₇H₇F₃N₄
Molecular Weight: 204.15
Synonyms: None
SMILES: [C@@H](C(F)(F)F)(C)N1C(N)=C(C#N)C=N1
Tpsa: 67.63
Logp: 1.46028
H Acceptors: 4
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:
C₇H₇F₃N₄
Molecular Weight:
204.15
Synonyms:
None
SMILES:
[C@@H](C(F)(F)F)(C)N1C(N)=C(C#N)C=N1
Tpsa:
67.63
Logp:
1.46028
H Acceptors:
4
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: C₇H₈F₃N₅
Molecular Weight: 219.17
Synonyms: None
SMILES: [C@@H](C(F)(F)F)(C)N1C(N)=C(C#N)C(N)=N1
Tpsa: 93.65
Logp: 1.04248
H Acceptors: 5
H Donors: 2
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:
C₇H₈F₃N₅
Molecular Weight:
219.17
Synonyms:
None
SMILES:
[C@@H](C(F)(F)F)(C)N1C(N)=C(C#N)C(N)=N1
Tpsa:
93.65
Logp:
1.04248
H Acceptors:
5
H Donors:
2
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: C₇H₇F₃N₂O
Molecular Weight: 192.14
Synonyms: None
SMILES: O=CC1=NN(C(=C1)C)CC(F)(F)F
Tpsa: 34.89
Logp: 1.56632
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:
C₇H₇F₃N₂O
Molecular Weight:
192.14
Synonyms:
None
SMILES:
O=CC1=NN(C(=C1)C)CC(F)(F)F
Tpsa:
34.89
Logp:
1.56632
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2