CS-0898011
tert-Butyl 3-nitro-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridine-2-carboxylate
Manufacturer: ChemScene
CAS Number: 2967688-03-3
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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
C₁₁H₁₁F₃N₂O₅
Molecular Weight
308.21
Synonyms
None
SMILES
O=C(C1=C([N+]([O-])=O)C=C(C(F)(F)F)C(N1)=O)OC(C)(C)C
Tpsa
102.3
Logp
2.2572
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: C₁₁H₁₁F₃N₂O₅
Molecular Weight: 308.21
Synonyms: None
SMILES: O=C(C1=C([N+]([O-])=O)C=C(C(F)(F)F)C(N1)=O)OC(C)(C)C
Tpsa: 102.3
Logp: 2.2572
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:
C₁₁H₁₁F₃N₂O₅
Molecular Weight:
308.21
Synonyms:
None
SMILES:
O=C(C1=C([N+]([O-])=O)C=C(C(F)(F)F)C(N1)=O)OC(C)(C)C
Tpsa:
102.3
Logp:
2.2572
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: C₈H₁₁BrN₂O
Molecular Weight: 231.09
Synonyms: None
SMILES: O=CC1=CN(C(C)(C)C)N=C1Br
Tpsa: 34.89
Logp: 2.2131
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:
C₈H₁₁BrN₂O
Molecular Weight:
231.09
Synonyms:
None
SMILES:
O=CC1=CN(C(C)(C)C)N=C1Br
Tpsa:
34.89
Logp:
2.2131
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: C₈H₆BrF₃N₂O₄S
Molecular Weight: 363.11
Synonyms: None
SMILES: O=C(C1=NC(Br)=C(C(F)(F)F)C=C1NS(=O)(C)=O)O
Tpsa: 96.36
Logp: 1.9326
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆BrF₃N₂O₄S
Molecular Weight:
363.11
Synonyms:
None
SMILES:
O=C(C1=NC(Br)=C(C(F)(F)F)C=C1NS(=O)(C)=O)O
Tpsa:
96.36
Logp:
1.9326
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
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=NC(Br)=C(C(F)(F)F)C=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=NC(Br)=C(C(F)(F)F)C=C1NC(OCC2=CC=CC=C2)=O)O
Tpsa:
88.52
Logp:
4.3098
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4