CS-1053849
tert-Butyl 6-chloro-3-iodo-5-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 3035446-89-7
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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
C₁₂H₁₀ClF₃IN₃O₂
Molecular Weight
447.58
Synonyms
None
SMILES
O=C(N1N=C(I)C2=CC(C(F)(F)F)=C(Cl)N=C21)OC(C)(C)C
Tpsa
57.01
Logp
4.4913
H Acceptors
5
H Donors
0
Rotatable Bonds
0
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: C₁₂H₁₀ClF₃IN₃O₂
Molecular Weight: 447.58
Synonyms: None
SMILES: O=C(N1N=C(I)C2=CC(C(F)(F)F)=C(Cl)N=C21)OC(C)(C)C
Tpsa: 57.01
Logp: 4.4913
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀ClF₃IN₃O₂
Molecular Weight:
447.58
Synonyms:
None
SMILES:
O=C(N1N=C(I)C2=CC(C(F)(F)F)=C(Cl)N=C21)OC(C)(C)C
Tpsa:
57.01
Logp:
4.4913
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₃BrF₃N₃O
Molecular Weight: 294.03
Synonyms: None
SMILES: O=CC1=NC(C(F)(F)F)=CC2=C1NN=C2Br
Tpsa: 58.64
Logp: 2.5517
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:
C₈H₃BrF₃N₃O
Molecular Weight:
294.03
Synonyms:
None
SMILES:
O=CC1=NC(C(F)(F)F)=CC2=C1NN=C2Br
Tpsa:
58.64
Logp:
2.5517
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: C₁₄H₁₇BrO₂
Molecular Weight: 297.19
Synonyms: None
SMILES: O=C(O)C(C1CCCCC1)C2=CC=CC(Br)=C2
Tpsa: 37.3
Logp: 4.1976
H Acceptors: 1
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:
C₁₄H₁₇BrO₂
Molecular Weight:
297.19
Synonyms:
None
SMILES:
O=C(O)C(C1CCCCC1)C2=CC=CC(Br)=C2
Tpsa:
37.3
Logp:
4.1976
H Acceptors:
1
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: C₁₅H₁₉BrO₂
Molecular Weight: 311.21
Synonyms: None
SMILES: O=C(OC)C(C1CCCCC1)C2=CC=CC(Br)=C2
Tpsa: 26.3
Logp: 4.286
H Acceptors: 2
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:
C₁₅H₁₉BrO₂
Molecular Weight:
311.21
Synonyms:
None
SMILES:
O=C(OC)C(C1CCCCC1)C2=CC=CC(Br)=C2
Tpsa:
26.3
Logp:
4.286
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3