CS-0652767
(S)-2-(Bicyclo[1.1.1]pentan-1-yl)-2-(2,2,2-trifluoroacetamido)acetic acid
Manufacturer: ChemScene
CAS Number: 2892291-12-0
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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
C₉H₁₀F₃NO₃
Molecular Weight
237.18
Synonyms
None
SMILES
O=C(O)[C@@H](NC(C(F)(F)F)=O)C1(C2)CC2C1
Tpsa
66.4
Logp
0.9182
H Acceptors
2
H Donors
2
Rotatable Bonds
3
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: C₉H₁₀F₃NO₃
Molecular Weight: 237.18
Synonyms: None
SMILES: O=C(O)[C@@H](NC(C(F)(F)F)=O)C1(C2)CC2C1
Tpsa: 66.4
Logp: 0.9182
H Acceptors: 2
H Donors: 2
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:
C₉H₁₀F₃NO₃
Molecular Weight:
237.18
Synonyms:
None
SMILES:
O=C(O)[C@@H](NC(C(F)(F)F)=O)C1(C2)CC2C1
Tpsa:
66.4
Logp:
0.9182
H Acceptors:
2
H Donors:
2
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: C₁₂H₁₂O₂
Molecular Weight: 188.22
Synonyms: None
SMILES: O=C([C@H]1[C@@]2(CCC3=C2C=CC=C3)C1)O
Tpsa: 37.3
Logp: 1.9751
H Acceptors: 1
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:
C₁₂H₁₂O₂
Molecular Weight:
188.22
Synonyms:
None
SMILES:
O=C([C@H]1[C@@]2(CCC3=C2C=CC=C3)C1)O
Tpsa:
37.3
Logp:
1.9751
H Acceptors:
1
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: C₁₈H₂₇NO₄
Molecular Weight: 321.41
Synonyms: None
SMILES: COC([C@@H]1[C@@]2([H])[C@@]3([H])C4(CC4)C[C@]([C@@]2([H])CN1C(OC(C)(C)C)=O)([H])C3)=O
Tpsa: 55.84
Logp: 2.8311
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:
C₁₈H₂₇NO₄
Molecular Weight:
321.41
Synonyms:
None
SMILES:
COC([C@@H]1[C@@]2([H])[C@@]3([H])C4(CC4)C[C@]([C@@]2([H])CN1C(OC(C)(C)C)=O)([H])C3)=O
Tpsa:
55.84
Logp:
2.8311
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: C₁₃H₂₀ClNO₂
Molecular Weight: 257.76
Synonyms: None
SMILES: COC([C@@H]1[C@@]2([H])[C@@]3([H])C4(CC4)C[C@]([C@@]2([H])CN1)([H])C3)=O.Cl
Tpsa: 38.33
Logp: 1.6054
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:
C₁₃H₂₀ClNO₂
Molecular Weight:
257.76
Synonyms:
None
SMILES:
COC([C@@H]1[C@@]2([H])[C@@]3([H])C4(CC4)C[C@]([C@@]2([H])CN1)([H])C3)=O.Cl
Tpsa:
38.33
Logp:
1.6054
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1