CS-1031093
Methyl 3-(3-cyanophenyl)isoxazole-5-carboxylate
Manufacturer: ChemScene
CAS Number: 1803607-04-6
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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
C₁₂H₈N₂O₃
Molecular Weight
228.20
Synonyms
None
SMILES
N#CC1=CC=CC(=C1)C2=NOC(=C2)C(=O)OC
Tpsa
76.12
Logp
1.99988
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
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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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: C₁₂H₈N₂O₃
Molecular Weight: 228.20
Synonyms: None
SMILES: N#CC1=CC=CC(=C1)C2=NOC(=C2)C(=O)OC
Tpsa: 76.12
Logp: 1.99988
H Acceptors: 5
H Donors: 0
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:
C₁₂H₈N₂O₃
Molecular Weight:
228.20
Synonyms:
None
SMILES:
N#CC1=CC=CC(=C1)C2=NOC(=C2)C(=O)OC
Tpsa:
76.12
Logp:
1.99988
H Acceptors:
5
H Donors:
0
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: C₇H₄BrFN₂O₂S
Molecular Weight: 279.09
Synonyms: None
SMILES: N#CC1=CC(F)=C(C=C1Br)S(=O)(=O)N
Tpsa: 83.95
Logp: 1.10728
H Acceptors: 3
H Donors: 1
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:
C₇H₄BrFN₂O₂S
Molecular Weight:
279.09
Synonyms:
None
SMILES:
N#CC1=CC(F)=C(C=C1Br)S(=O)(=O)N
Tpsa:
83.95
Logp:
1.10728
H Acceptors:
3
H Donors:
1
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: C₉H₉BrN₄O₂
Molecular Weight: 285.10
Synonyms: None
SMILES: O=C1N=C(N(C=C1Br)CC2=NC(=NO2)C)C
Tpsa: 73.81
Logp: 1.05394
H Acceptors: 6
H Donors: 0
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:
C₉H₉BrN₄O₂
Molecular Weight:
285.10
Synonyms:
None
SMILES:
O=C1N=C(N(C=C1Br)CC2=NC(=NO2)C)C
Tpsa:
73.81
Logp:
1.05394
H Acceptors:
6
H Donors:
0
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: C₇H₅ClFNO₅S
Molecular Weight: 269.63
Synonyms: None
SMILES: O=N(=O)C1=CC(=CC(F)=C1OC)S(=O)(=O)Cl
Tpsa: 86.51
Logp: 1.67
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅ClFNO₅S
Molecular Weight:
269.63
Synonyms:
None
SMILES:
O=N(=O)C1=CC(=CC(F)=C1OC)S(=O)(=O)Cl
Tpsa:
86.51
Logp:
1.67
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3