CS-0615707
(S)-4-Bromo-5-fluoro-2-((1,1,1-trifluoropropan-2-yl)oxy)benzonitrile
Manufacturer: ChemScene
CAS Number: 2222742-96-1
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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
C₁₀H₆BrF₄NO
Molecular Weight
312.06
Synonyms
None
SMILES
N#CC1=CC(F)=C(Br)C=C1O[C@@H](C)C(F)(F)F
Tpsa
33.02
Logp
3.78948
H Acceptors
2
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: C₁₀H₆BrF₄NO
Molecular Weight: 312.06
Synonyms: None
SMILES: N#CC1=CC(F)=C(Br)C=C1O[C@@H](C)C(F)(F)F
Tpsa: 33.02
Logp: 3.78948
H Acceptors: 2
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:
C₁₀H₆BrF₄NO
Molecular Weight:
312.06
Synonyms:
None
SMILES:
N#CC1=CC(F)=C(Br)C=C1O[C@@H](C)C(F)(F)F
Tpsa:
33.02
Logp:
3.78948
H Acceptors:
2
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: C₁₆H₂₃BrN₂O₄
Molecular Weight: 387.27
Synonyms: None
SMILES: O=C(N(C1=C(C)C=CN=C1Br)C(OC(C)(C)C)=O)OC(C)(C)C
Tpsa: 68.73
Logp: 4.82912
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:
C₁₆H₂₃BrN₂O₄
Molecular Weight:
387.27
Synonyms:
None
SMILES:
O=C(N(C1=C(C)C=CN=C1Br)C(OC(C)(C)C)=O)OC(C)(C)C
Tpsa:
68.73
Logp:
4.82912
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: C₁₇H₂₄N₂O₅
Molecular Weight: 336.38
Synonyms: None
SMILES: O=CC1=NC=CC(C)=C1N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O
Tpsa: 85.8
Logp: 3.87912
H Acceptors: 6
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:
C₁₇H₂₄N₂O₅
Molecular Weight:
336.38
Synonyms:
None
SMILES:
O=CC1=NC=CC(C)=C1N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O
Tpsa:
85.8
Logp:
3.87912
H Acceptors:
6
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: C₆H₆Cl₂N₂O
Molecular Weight: 193.03
Synonyms: None
SMILES: NC1=C(Cl)C(OC)=NC=C1Cl
Tpsa: 48.14
Logp: 1.9792
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:
C₆H₆Cl₂N₂O
Molecular Weight:
193.03
Synonyms:
None
SMILES:
NC1=C(Cl)C(OC)=NC=C1Cl
Tpsa:
48.14
Logp:
1.9792
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1