CS-0530063
3-Nitro-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2761296-39-1
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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
C₇H₃F₃N₂O₅
Molecular Weight
252.10
Synonyms
None
SMILES
O=C(C1=C([N+]([O-])=O)C=C(C(F)(F)F)C(N1)=O)O
Tpsa
113.3
Logp
1.0001
H Acceptors
4
H Donors
2
Rotatable Bonds
2
Related Products
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: C₇H₃F₃N₂O₅
Molecular Weight: 252.10
Synonyms: None
SMILES: O=C(C1=C([N+]([O-])=O)C=C(C(F)(F)F)C(N1)=O)O
Tpsa: 113.3
Logp: 1.0001
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:
C₇H₃F₃N₂O₅
Molecular Weight:
252.10
Synonyms:
None
SMILES:
O=C(C1=C([N+]([O-])=O)C=C(C(F)(F)F)C(N1)=O)O
Tpsa:
113.3
Logp:
1.0001
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: C₁₂H₁₂ClN₃
Molecular Weight: 233.70
Synonyms: None
SMILES: NC1=NC(C2=C(C)C=CC=C2C)=CC(Cl)=N1
Tpsa: 51.8
Logp: 2.99604
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:
C₁₂H₁₂ClN₃
Molecular Weight:
233.70
Synonyms:
None
SMILES:
NC1=NC(C2=C(C)C=CC=C2C)=CC(Cl)=N1
Tpsa:
51.8
Logp:
2.99604
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: C₁₄H₂₇NO₄
Molecular Weight: 273.37
Synonyms: ethyl (4S)-4-[N-(tert-butoxycarbonyl)amino]-5-methylhexanoate
SMILES: CC(C)[C@H](NC(OC(C)(C)C)=O)CCC(OCC)=O
Tpsa: 64.63
Logp: 2.879
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₇NO₄
Molecular Weight:
273.37
Synonyms:
ethyl (4S)-4-[N-(tert-butoxycarbonyl)amino]-5-methylhexanoate
SMILES:
CC(C)[C@H](NC(OC(C)(C)C)=O)CCC(OCC)=O
Tpsa:
64.63
Logp:
2.879
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄ClN
Molecular Weight: 243.73
Synonyms: None
SMILES: ClC1=NC2=C(CCCC2)C(C3=CC=CC=C3)=C1
Tpsa: 12.89
Logp: 4.2808
H Acceptors: 1
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:
C₁₅H₁₄ClN
Molecular Weight:
243.73
Synonyms:
None
SMILES:
ClC1=NC2=C(CCCC2)C(C3=CC=CC=C3)=C1
Tpsa:
12.89
Logp:
4.2808
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1