CS-1013249
3-Pyridinecarboxylic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-(trifluoromethyl)-, methyl ester
Manufacturer: ChemScene
CAS Number: 2680828-82-2
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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
C₁₃H₁₄BrF₃N₂O₄
Molecular Weight
399.16
Synonyms
None
SMILES
O=C(C1=CC(Br)=C(C(F)(F)F)N=C1NC(OC(C)(C)C)=O)OC
Tpsa
77.52
Logp
3.9965
H Acceptors
5
H Donors
1
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: C₁₃H₁₄BrF₃N₂O₄
Molecular Weight: 399.16
Synonyms: None
SMILES: O=C(C1=CC(Br)=C(C(F)(F)F)N=C1NC(OC(C)(C)C)=O)OC
Tpsa: 77.52
Logp: 3.9965
H Acceptors: 5
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:
C₁₃H₁₄BrF₃N₂O₄
Molecular Weight:
399.16
Synonyms:
None
SMILES:
O=C(C1=CC(Br)=C(C(F)(F)F)N=C1NC(OC(C)(C)C)=O)OC
Tpsa:
77.52
Logp:
3.9965
H Acceptors:
5
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: C₁₅H₁₀BrF₃N₂O₄
Molecular Weight: 419.15
Synonyms: None
SMILES: O=C(C1=CC(Br)=C(C(F)(F)F)N=C1NC(OCC2=CC=CC=C2)=O)O
Tpsa: 88.52
Logp: 4.3098
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₀BrF₃N₂O₄
Molecular Weight:
419.15
Synonyms:
None
SMILES:
O=C(C1=CC(Br)=C(C(F)(F)F)N=C1NC(OCC2=CC=CC=C2)=O)O
Tpsa:
88.52
Logp:
4.3098
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅F₃O₂
Molecular Weight: 190.12
Synonyms: None
SMILES: O=CC1=CC(O)=CC=C1C(F)(F)F
Tpsa: 37.3
Logp: 2.2235
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:
C₈H₅F₃O₂
Molecular Weight:
190.12
Synonyms:
None
SMILES:
O=CC1=CC(O)=CC=C1C(F)(F)F
Tpsa:
37.3
Logp:
2.2235
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: C₁₂H₁₅F₃N₂O₂
Molecular Weight: 276.25
Synonyms: None
SMILES: O=C(C1=CC=C(C(F)(F)F)N=C1NC)OC(C)(C)C
Tpsa: 51.22
Logp: 3.0974
H Acceptors: 4
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:
C₁₂H₁₅F₃N₂O₂
Molecular Weight:
276.25
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(F)(F)F)N=C1NC)OC(C)(C)C
Tpsa:
51.22
Logp:
3.0974
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2