CS-0909499
6-(tert-Butyl)-2-methyl-5-(trifluoromethyl)nicotinic acid
Manufacturer: ChemScene
CAS Number: 3002075-40-0
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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
C₁₂H₁₄F₃NO₂
Molecular Weight
261.24
Synonyms
None
SMILES
O=C(C1=CC(C(F)(F)F)=C(C(C)(C)C)N=C1C)O
Tpsa
50.19
Logp
3.40452
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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: C₁₂H₁₄F₃NO₂
Molecular Weight: 261.24
Synonyms: None
SMILES: O=C(C1=CC(C(F)(F)F)=C(C(C)(C)C)N=C1C)O
Tpsa: 50.19
Logp: 3.40452
H Acceptors: 2
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:
C₁₂H₁₄F₃NO₂
Molecular Weight:
261.24
Synonyms:
None
SMILES:
O=C(C1=CC(C(F)(F)F)=C(C(C)(C)C)N=C1C)O
Tpsa:
50.19
Logp:
3.40452
H Acceptors:
2
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: C₁₁H₁₃BrF₃N
Molecular Weight: 296.13
Synonyms: None
SMILES: FC(C1=C(C(C)(C)C)N=C(C)C(Br)=C1)(F)F
Tpsa: 12.89
Logp: 4.46882
H Acceptors: 1
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:
C₁₁H₁₃BrF₃N
Molecular Weight:
296.13
Synonyms:
None
SMILES:
FC(C1=C(C(C)(C)C)N=C(C)C(Br)=C1)(F)F
Tpsa:
12.89
Logp:
4.46882
H Acceptors:
1
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: C₁₇H₂₅BF₃NO₂
Molecular Weight: 343.19
Synonyms: None
SMILES: FC(C1=CC(B2OC(C)(C)C(C)(C)O2)=C(C)N=C1C(C)(C)C)(F)F
Tpsa: 31.35
Logp: 4.00552
H Acceptors: 3
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:
C₁₇H₂₅BF₃NO₂
Molecular Weight:
343.19
Synonyms:
None
SMILES:
FC(C1=CC(B2OC(C)(C)C(C)(C)O2)=C(C)N=C1C(C)(C)C)(F)F
Tpsa:
31.35
Logp:
4.00552
H Acceptors:
3
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: C₁₃H₁₇F₃O₃S
Molecular Weight: 310.33
Synonyms: None
SMILES: O=S(C(F)(F)F)(OC1=CC(C)=C(C(C)(C)C)C=C1C)=O
Tpsa: 43.37
Logp: 3.82934
H Acceptors: 3
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:
C₁₃H₁₇F₃O₃S
Molecular Weight:
310.33
Synonyms:
None
SMILES:
O=S(C(F)(F)F)(OC1=CC(C)=C(C(C)(C)C)C=C1C)=O
Tpsa:
43.37
Logp:
3.82934
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2