CS-1136834
1-(tert-Butyl) 2-methyl 6-hydroxy-6-(trifluoromethyl)-5,6-dihydrocyclopenta[b]pyrrole-1,2(4H)-dicarboxylate
Manufacturer: ChemScene
CAS Number: 3041032-35-0
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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
C₁₅H₁₈F₃NO₅
Molecular Weight
349.30
Synonyms
None
SMILES
O=C(N1C2=C(CCC2(O)C(F)(F)F)C=C1C(OC)=O)OC(C)(C)C
Tpsa
77.76
Logp
2.754
H Acceptors
6
H Donors
1
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
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: C₁₅H₁₈F₃NO₅
Molecular Weight: 349.30
Synonyms: None
SMILES: O=C(N1C2=C(CCC2(O)C(F)(F)F)C=C1C(OC)=O)OC(C)(C)C
Tpsa: 77.76
Logp: 2.754
H Acceptors: 6
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:
C₁₅H₁₈F₃NO₅
Molecular Weight:
349.30
Synonyms:
None
SMILES:
O=C(N1C2=C(CCC2(O)C(F)(F)F)C=C1C(OC)=O)OC(C)(C)C
Tpsa:
77.76
Logp:
2.754
H Acceptors:
6
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: C₇H₄BrCl₂N₃
Molecular Weight: 280.94
Synonyms: None
SMILES: CC1=C(Br)C2=C(Cl)N=C(Cl)N=C2N1
Tpsa: 41.57
Logp: 3.33562
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:
C₇H₄BrCl₂N₃
Molecular Weight:
280.94
Synonyms:
None
SMILES:
CC1=C(Br)C2=C(Cl)N=C(Cl)N=C2N1
Tpsa:
41.57
Logp:
3.33562
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: C₆H₁₄ClNO
Molecular Weight: 151.63
Synonyms: None
SMILES: O[C@H]1CNCC[C@H]1C.[H]Cl
Tpsa: 32.26
Logp: 0.3985
H Acceptors: 2
H Donors: 2
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:
C₆H₁₄ClNO
Molecular Weight:
151.63
Synonyms:
None
SMILES:
O[C@H]1CNCC[C@H]1C.[H]Cl
Tpsa:
32.26
Logp:
0.3985
H Acceptors:
2
H Donors:
2
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: C₁₅H₁₉F₂IN₂O₄
Molecular Weight: 456.22
Synonyms: None
SMILES: O=C(OC(C)(C)C)N(C1=NC(F)=C(I)C=C1F)C(OC(C)(C)C)=O
Tpsa: 68.73
Logp: 4.641
H Acceptors: 5
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:
C₁₅H₁₉F₂IN₂O₄
Molecular Weight:
456.22
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N(C1=NC(F)=C(I)C=C1F)C(OC(C)(C)C)=O
Tpsa:
68.73
Logp:
4.641
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1