CS-0881196
2-Chloro-6-(ethoxycarbonyl)nicotinic acid
Manufacturer: ChemScene
CAS Number: 2091647-88-8
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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
C₉H₈ClNO₄
Molecular Weight
229.62
Synonyms
None
SMILES
O=C(C1=NC(Cl)=C(C(O)=O)C=C1)OCC
Tpsa
76.49
Logp
1.6099
H Acceptors
4
H Donors
1
Rotatable Bonds
3
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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: C₉H₈ClNO₄
Molecular Weight: 229.62
Synonyms: None
SMILES: O=C(C1=NC(Cl)=C(C(O)=O)C=C1)OCC
Tpsa: 76.49
Logp: 1.6099
H Acceptors: 4
H Donors: 1
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:
C₉H₈ClNO₄
Molecular Weight:
229.62
Synonyms:
None
SMILES:
O=C(C1=NC(Cl)=C(C(O)=O)C=C1)OCC
Tpsa:
76.49
Logp:
1.6099
H Acceptors:
4
H Donors:
1
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: C₈H₃Cl₂F₃N₂
Molecular Weight: 255.02
Synonyms: None
SMILES: N#CC1=C(C(F)(F)F)C(C)=C(Cl)N=C1Cl
Tpsa: 36.68
Logp: 3.5873
H Acceptors: 2
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:
C₈H₃Cl₂F₃N₂
Molecular Weight:
255.02
Synonyms:
None
SMILES:
N#CC1=C(C(F)(F)F)C(C)=C(Cl)N=C1Cl
Tpsa:
36.68
Logp:
3.5873
H Acceptors:
2
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: C₁₃H₁₈FNO₄
Molecular Weight: 271.28
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1=CC=C(OC)C(F)=C1CO
Tpsa: 67.79
Logp: 2.6736
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:
C₁₃H₁₈FNO₄
Molecular Weight:
271.28
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1=CC=C(OC)C(F)=C1CO
Tpsa:
67.79
Logp:
2.6736
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: C₁₀H₉FO₄
Molecular Weight: 212.17
Synonyms: None
SMILES: O=C(C1=CC=C(C(OCC)=O)C=C1F)O
Tpsa: 63.6
Logp: 1.7006
H Acceptors: 3
H Donors: 1
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:
C₁₀H₉FO₄
Molecular Weight:
212.17
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(OCC)=O)C=C1F)O
Tpsa:
63.6
Logp:
1.7006
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3