CS-0911273
rel-(1R,2S)-2,5'-Difluoro-6'-(trifluoromethyl)-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-1'-one
Manufacturer: ChemScene
CAS Number: 2993493-30-2
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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
C₁₂H₈F₅NO
Molecular Weight
277.19
Synonyms
None
SMILES
O=C1NC[C@@]2(C3=C1C=CC(C(F)(F)F)=C3F)[C@@H](F)C2
Tpsa
29.1
Logp
2.5675
H Acceptors
1
H Donors
1
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: C₁₂H₈F₅NO
Molecular Weight: 277.19
Synonyms: None
SMILES: O=C1NC[C@@]2(C3=C1C=CC(C(F)(F)F)=C3F)[C@@H](F)C2
Tpsa: 29.1
Logp: 2.5675
H Acceptors: 1
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:
C₁₂H₈F₅NO
Molecular Weight:
277.19
Synonyms:
None
SMILES:
O=C1NC[C@@]2(C3=C1C=CC(C(F)(F)F)=C3F)[C@@H](F)C2
Tpsa:
29.1
Logp:
2.5675
H Acceptors:
1
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: C₇H₁₄ClNO
Molecular Weight: 163.65
Synonyms: None
SMILES: OC1(C2CC2)CC(N)C1.Cl
Tpsa: 46.25
Logp: 0.6704
H Acceptors: 2
H Donors: 2
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:
C₇H₁₄ClNO
Molecular Weight:
163.65
Synonyms:
None
SMILES:
OC1(C2CC2)CC(N)C1.Cl
Tpsa:
46.25
Logp:
0.6704
H Acceptors:
2
H Donors:
2
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: C₁₅H₁₉NO₃
Molecular Weight: 261.32
Synonyms: None
SMILES: O=C(N1CCC(C2=C1C=C(C)C=C2)=O)OC(C)(C)C
Tpsa: 46.61
Logp: 3.32292
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:
C₁₅H₁₉NO₃
Molecular Weight:
261.32
Synonyms:
None
SMILES:
O=C(N1CCC(C2=C1C=C(C)C=C2)=O)OC(C)(C)C
Tpsa:
46.61
Logp:
3.32292
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: C₆H₃BrFN₃
Molecular Weight: 216.01
Synonyms: None
SMILES: FC1=C(Br)N=C(NN=C2)C2=C1
Tpsa: 41.57
Logp: 1.8595
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:
C₆H₃BrFN₃
Molecular Weight:
216.01
Synonyms:
None
SMILES:
FC1=C(Br)N=C(NN=C2)C2=C1
Tpsa:
41.57
Logp:
1.8595
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0