CS-0642067
Methyl 1-(cyanomethyl)-1H-pyrazole-4-carboxylate
Manufacturer: ChemScene
CAS Number: 1824468-12-3
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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
C₇H₇N₃O₂
Molecular Weight
165.15
Synonyms
None
SMILES
O=C(C1=CN(CC#N)N=C1)OC
Tpsa
67.91
Logp
0.19328
H Acceptors
5
H Donors
0
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇N₃O₂
Molecular Weight: 165.15
Synonyms: None
SMILES: O=C(C1=CN(CC#N)N=C1)OC
Tpsa: 67.91
Logp: 0.19328
H Acceptors: 5
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:
C₇H₇N₃O₂
Molecular Weight:
165.15
Synonyms:
None
SMILES:
O=C(C1=CN(CC#N)N=C1)OC
Tpsa:
67.91
Logp:
0.19328
H Acceptors:
5
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: C₁₀H₉NO₄
Molecular Weight: 207.18
Synonyms: None
SMILES: O=C(C1=CC=C(/C=C/C(O)=O)N=C1)OC
Tpsa: 76.49
Logp: 0.966
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:
C₁₀H₉NO₄
Molecular Weight:
207.18
Synonyms:
None
SMILES:
O=C(C1=CC=C(/C=C/C(O)=O)N=C1)OC
Tpsa:
76.49
Logp:
0.966
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: C₆H₇IN₂O₂
Molecular Weight: 266.04
Synonyms: None
SMILES: O=C(O)CCN1N=C(I)C=C1
Tpsa: 55.12
Logp: 0.9624
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:
C₆H₇IN₂O₂
Molecular Weight:
266.04
Synonyms:
None
SMILES:
O=C(O)CCN1N=C(I)C=C1
Tpsa:
55.12
Logp:
0.9624
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: C₇H₇BrClNO₃S
Molecular Weight: 300.56
Synonyms: None
SMILES: O=S(OCC1=NC(Cl)=CC=C1Br)(C)=O
Tpsa: 56.26
Logp: 1.9737
H Acceptors: 4
H Donors: 0
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:
C₇H₇BrClNO₃S
Molecular Weight:
300.56
Synonyms:
None
SMILES:
O=S(OCC1=NC(Cl)=CC=C1Br)(C)=O
Tpsa:
56.26
Logp:
1.9737
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3