CS-1176338
3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 3047885-06-0
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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
C₁₅H₁₇BF₃NO₃
Molecular Weight
327.11
Synonyms
None
SMILES
N#CC1=CC(C(F)(F)F)=C(B2OC(C)(C)C(C)(C)O2)C(OC)=C1
Tpsa
51.48
Logp
2.88488
H Acceptors
4
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: C₁₅H₁₇BF₃NO₃
Molecular Weight: 327.11
Synonyms: None
SMILES: N#CC1=CC(C(F)(F)F)=C(B2OC(C)(C)C(C)(C)O2)C(OC)=C1
Tpsa: 51.48
Logp: 2.88488
H Acceptors: 4
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:
C₁₅H₁₇BF₃NO₃
Molecular Weight:
327.11
Synonyms:
None
SMILES:
N#CC1=CC(C(F)(F)F)=C(B2OC(C)(C)C(C)(C)O2)C(OC)=C1
Tpsa:
51.48
Logp:
2.88488
H Acceptors:
4
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: C₁₂H₁₄BrFO₃
Molecular Weight: 305.14
Synonyms: None
SMILES: O=C(OC(C)(C)C)C(O)C1=CC(Br)=CC=C1F
Tpsa: 46.53
Logp: 2.9633
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₄BrFO₃
Molecular Weight:
305.14
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)C(O)C1=CC(Br)=CC=C1F
Tpsa:
46.53
Logp:
2.9633
H Acceptors:
3
H Donors:
1
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: C₇H₅F₂NS
Molecular Weight: 173.18
Synonyms: None
SMILES: C#CC1=CSC(C(F)(F)C)=N1
Tpsa: 12.89
Logp: 2.2361
H Acceptors: 2
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:
C₇H₅F₂NS
Molecular Weight:
173.18
Synonyms:
None
SMILES:
C#CC1=CSC(C(F)(F)C)=N1
Tpsa:
12.89
Logp:
2.2361
H Acceptors:
2
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: C₇H₅BF₂N₂O₂
Molecular Weight: 197.93
Synonyms: None
SMILES: N#CC1=CN=C(C(C(F)F)=C1)B(O)O
Tpsa: 77.14
Logp: -0.42932
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:
C₇H₅BF₂N₂O₂
Molecular Weight:
197.93
Synonyms:
None
SMILES:
N#CC1=CN=C(C(C(F)F)=C1)B(O)O
Tpsa:
77.14
Logp:
-0.42932
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2