CS-0887011
tert-Butyl 6-cyanonicotinate
Manufacturer: ChemScene
CAS Number: 453565-50-9
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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
C₁₁H₁₂N₂O₂
Molecular Weight
204.23
Synonyms
None
SMILES
O=C(C1=CC=C(C#N)N=C1)OC(C)(C)C
Tpsa
62.98
Logp
1.90858
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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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
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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: C₁₁H₁₂N₂O₂
Molecular Weight: 204.23
Synonyms: None
SMILES: O=C(C1=CC=C(C#N)N=C1)OC(C)(C)C
Tpsa: 62.98
Logp: 1.90858
H Acceptors: 4
H Donors: 0
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:
C₁₁H₁₂N₂O₂
Molecular Weight:
204.23
Synonyms:
None
SMILES:
O=C(C1=CC=C(C#N)N=C1)OC(C)(C)C
Tpsa:
62.98
Logp:
1.90858
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅BrFNO
Molecular Weight: 242.04
Synonyms: None
SMILES: OC1=CC2=CC(Br)=CC(F)=C2N=C1
Tpsa: 33.12
Logp: 2.842
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅BrFNO
Molecular Weight:
242.04
Synonyms:
None
SMILES:
OC1=CC2=CC(Br)=CC(F)=C2N=C1
Tpsa:
33.12
Logp:
2.842
H Acceptors:
2
H Donors:
1
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: C₁₂H₁₂FNO₂
Molecular Weight: 221.23
Synonyms: None
SMILES: O=C(OC(C)(C)C)C1=CC=CC(C#N)=C1F
Tpsa: 50.09
Logp: 2.65268
H Acceptors: 3
H Donors: 0
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:
C₁₂H₁₂FNO₂
Molecular Weight:
221.23
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)C1=CC=CC(C#N)=C1F
Tpsa:
50.09
Logp:
2.65268
H Acceptors:
3
H Donors:
0
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: C₁₂H₁₃NO₂
Molecular Weight: 203.24
Synonyms: None
SMILES: O=C(OC(C)(C)C)C1=CC=CC=C1C#N
Tpsa: 50.09
Logp: 2.51358
H Acceptors: 3
H Donors: 0
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:
C₁₂H₁₃NO₂
Molecular Weight:
203.24
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)C1=CC=CC=C1C#N
Tpsa:
50.09
Logp:
2.51358
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1