CS-1164948
2-(2-Cyano-4-(difluoromethyl)-6-oxo-1,6-dihydropyridin-3-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 1805185-36-7
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₆F₂N₂O₃
Molecular Weight
228.15
Synonyms
None
SMILES
N#CC=1NC(=O)C=C(C1CC(=O)O)C(F)F
Tpsa
93.95
Logp
0.81128
H Acceptors
3
H Donors
2
Rotatable Bonds
3
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆F₂N₂O₃
Molecular Weight: 228.15
Synonyms: None
SMILES: N#CC=1NC(=O)C=C(C1CC(=O)O)C(F)F
Tpsa: 93.95
Logp: 0.81128
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆F₂N₂O₃
Molecular Weight:
228.15
Synonyms:
None
SMILES:
N#CC=1NC(=O)C=C(C1CC(=O)O)C(F)F
Tpsa:
93.95
Logp:
0.81128
H Acceptors:
3
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: C₁₂H₁₆ClNO
Molecular Weight: 225.72
Synonyms: None
SMILES: C(C1=CC(C)=C(Cl)C=C1)N2C[C@H](O)CC2
Tpsa: 23.47
Logp: 2.21502
H Acceptors: 2
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:
C₁₂H₁₆ClNO
Molecular Weight:
225.72
Synonyms:
None
SMILES:
C(C1=CC(C)=C(Cl)C=C1)N2C[C@H](O)CC2
Tpsa:
23.47
Logp:
2.21502
H Acceptors:
2
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: C₁₁H₂₀N₂O₂
Molecular Weight: 212.29
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CCC(N)C12CC2
Tpsa: 55.56
Logp: 1.4871
H Acceptors: 3
H Donors: 1
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:
C₁₁H₂₀N₂O₂
Molecular Weight:
212.29
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CCC(N)C12CC2
Tpsa:
55.56
Logp:
1.4871
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₈N₂O₄
Molecular Weight: 266.30
Synonyms: None
SMILES: O=CC1=CC(=CC(=O)N1)CCNC(=O)OC(C)(C)C
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₄
Molecular Weight:
266.30
Synonyms:
None
SMILES:
O=CC1=CC(=CC(=O)N1)CCNC(=O)OC(C)(C)C
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A