CS-1066928
Methyl 2-(5-cyano-3-oxo-2,3-dihydro-1H-pyrazol-1-yl)acetate
Manufacturer: ChemScene
CAS Number: 2819374-00-8
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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
C₇H₇N₃O₃
Molecular Weight
181.15
Synonyms
None
SMILES
N#CC1=CC(=O)NN1CC(=O)OC
Tpsa
87.88
Logp
-0.77892
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: C₇H₇N₃O₃
Molecular Weight: 181.15
Synonyms: None
SMILES: N#CC1=CC(=O)NN1CC(=O)OC
Tpsa: 87.88
Logp: -0.77892
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:
C₇H₇N₃O₃
Molecular Weight:
181.15
Synonyms:
None
SMILES:
N#CC1=CC(=O)NN1CC(=O)OC
Tpsa:
87.88
Logp:
-0.77892
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: C₁₂H₁₄ClNO
Molecular Weight: 223.70
Synonyms: None
SMILES: O=C1NC=2C(=CC(Cl)=CC2C1CCC)C
Tpsa: 29.1
Logp: 3.48422
H Acceptors: 1
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:
C₁₂H₁₄ClNO
Molecular Weight:
223.70
Synonyms:
None
SMILES:
O=C1NC=2C(=CC(Cl)=CC2C1CCC)C
Tpsa:
29.1
Logp:
3.48422
H Acceptors:
1
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: C₁₅H₂₆N₂O₂
Molecular Weight: 266.38
Synonyms: None
SMILES: O=C(OC(C)(C)C)C1=NN(C(=C1)C(C)C)C(C)CC
Tpsa: 44.12
Logp: 3.9328
H Acceptors: 4
H Donors: 0
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:
C₁₅H₂₆N₂O₂
Molecular Weight:
266.38
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)C1=NN(C(=C1)C(C)C)C(C)CC
Tpsa:
44.12
Logp:
3.9328
H Acceptors:
4
H Donors:
0
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: C₇H₉BrF₂N₂
Molecular Weight: 239.06
Synonyms: None
SMILES: FC(F)C(N1N=CC(=C1Br)C)C
Tpsa: 17.82
Logp: 2.78012
H Acceptors: 2
H Donors: 0
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:
C₇H₉BrF₂N₂
Molecular Weight:
239.06
Synonyms:
None
SMILES:
FC(F)C(N1N=CC(=C1Br)C)C
Tpsa:
17.82
Logp:
2.78012
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2