CS-0766675
2-(1H-Pyrazol-4-ylmethyl)isoindole-1,3-dione
Manufacturer: ChemScene
CAS Number: 1183732-40-2
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₉N₃O₂
Molecular Weight
227.22
Synonyms
None
SMILES
O=C1N(CC2=CNN=C2)C(=O)C2=CC=CC=C12
Tpsa
66.06
Logp
1.2059
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₉N₃O₂
Molecular Weight: 227.22
Synonyms: None
SMILES: O=C1N(CC2=CNN=C2)C(=O)C2=CC=CC=C12
Tpsa: 66.06
Logp: 1.2059
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₉N₃O₂
Molecular Weight:
227.22
Synonyms:
None
SMILES:
O=C1N(CC2=CNN=C2)C(=O)C2=CC=CC=C12
Tpsa:
66.06
Logp:
1.2059
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₄N₂O₃
Molecular Weight: 128.09
Synonyms: None
SMILES: NC1=NOC=C1C(O)=O
Tpsa: 89.35
Logp: -0.045
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₄N₂O₃
Molecular Weight:
128.09
Synonyms:
None
SMILES:
NC1=NOC=C1C(O)=O
Tpsa:
89.35
Logp:
-0.045
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂O₂
Molecular Weight: 176.21
Synonyms: None
SMILES: C=CCCOC(=O)C1=CC=CC=C1
Tpsa: 26.3
Logp: 2.4195
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂O₂
Molecular Weight:
176.21
Synonyms:
None
SMILES:
C=CCCOC(=O)C1=CC=CC=C1
Tpsa:
26.3
Logp:
2.4195
H Acceptors:
2
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: C₁₂H₉F₃N₂
Molecular Weight: 238.21
Synonyms: None
SMILES: NC1=CN=C(C=C1)C1=C(C=CC=C1)C(F)(F)F
Tpsa: 38.91
Logp: 3.3496
H Acceptors: 2
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:
C₁₂H₉F₃N₂
Molecular Weight:
238.21
Synonyms:
None
SMILES:
NC1=CN=C(C=C1)C1=C(C=CC=C1)C(F)(F)F
Tpsa:
38.91
Logp:
3.3496
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1