CS-0608944
tert-Butyl 7-(((trifluoromethyl)sulfonyl)oxy)-4-azaspiro[2.5]oct-6-ene-4-carboxylate
Manufacturer: ChemScene
CAS Number: 1892578-22-1
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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
C₁₃H₁₈F₃NO₅S
Molecular Weight
357.35
Synonyms
4-Azaspiro[2.5]oct-6-ene-4-carboxylic acid, 7-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
SMILES
O=C(N(CC=C(OS(=O)(C(F)(F)F)=O)C1)C21CC2)OC(C)(C)C
Tpsa
72.91
Logp
2.9099
H Acceptors
5
H Donors
0
Rotatable Bonds
2
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: C₁₃H₁₈F₃NO₅S
Molecular Weight: 357.35
Synonyms: 4-Azaspiro[2.5]oct-6-ene-4-carboxylic acid, 7-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
SMILES: O=C(N(CC=C(OS(=O)(C(F)(F)F)=O)C1)C21CC2)OC(C)(C)C
Tpsa: 72.91
Logp: 2.9099
H Acceptors: 5
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:
C₁₃H₁₈F₃NO₅S
Molecular Weight:
357.35
Synonyms:
4-Azaspiro[2.5]oct-6-ene-4-carboxylic acid, 7-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
SMILES:
O=C(N(CC=C(OS(=O)(C(F)(F)F)=O)C1)C21CC2)OC(C)(C)C
Tpsa:
72.91
Logp:
2.9099
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₂F₂IN
Molecular Weight: 265.00
Synonyms: 2,5-Difluoro-4-iodo-benzonitrile
SMILES: N#CC1=CC(F)=C(I)C=C1F
Tpsa: 23.79
Logp: 2.44108
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₂F₂IN
Molecular Weight:
265.00
Synonyms:
2,5-Difluoro-4-iodo-benzonitrile
SMILES:
N#CC1=CC(F)=C(I)C=C1F
Tpsa:
23.79
Logp:
2.44108
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₁NO₃
Molecular Weight: 215.29
Synonyms: 4-Piperidineacetic acid, 4-hydroxy-, 1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)CC1(O)CCNCC1
Tpsa: 58.56
Logp: 0.8327
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₁NO₃
Molecular Weight:
215.29
Synonyms:
4-Piperidineacetic acid, 4-hydroxy-, 1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)CC1(O)CCNCC1
Tpsa:
58.56
Logp:
0.8327
H Acceptors:
4
H Donors:
2
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: C₈H₅N₃
Molecular Weight: 143.15
Synonyms: None
SMILES: N#CC1=CC2=CC=CN2N=C1
Tpsa: 41.09
Logp: 1.20598
H Acceptors: 3
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:
C₈H₅N₃
Molecular Weight:
143.15
Synonyms:
None
SMILES:
N#CC1=CC2=CC=CN2N=C1
Tpsa:
41.09
Logp:
1.20598
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0