CS-0751522
4-Phenylisoxazole-3-carboxylic acid ethyl ester
Manufacturer: ChemScene
CAS Number: 96129-46-3
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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
C₁₂H₁₁NO₃
Molecular Weight
217.22
Synonyms
None
SMILES
CCOC(=O)C1=NOC=C1C1=CC=CC=C1
Tpsa
52.33
Logp
2.5183
H Acceptors
4
H Donors
0
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁NO₃
Molecular Weight: 217.22
Synonyms: None
SMILES: CCOC(=O)C1=NOC=C1C1=CC=CC=C1
Tpsa: 52.33
Logp: 2.5183
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:
C₁₂H₁₁NO₃
Molecular Weight:
217.22
Synonyms:
None
SMILES:
CCOC(=O)C1=NOC=C1C1=CC=CC=C1
Tpsa:
52.33
Logp:
2.5183
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: C₂₂H₂₈BNO₃S
Molecular Weight: 397.34
Synonyms: None
SMILES: CC1=C(C=CC=C1NC(=O)C1=CC2=C(CCCC2)S1)B1OC(C)(C)C(C)(C)O1
Tpsa: 47.56
Logp: 4.48682
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:
C₂₂H₂₈BNO₃S
Molecular Weight:
397.34
Synonyms:
None
SMILES:
CC1=C(C=CC=C1NC(=O)C1=CC2=C(CCCC2)S1)B1OC(C)(C)C(C)(C)O1
Tpsa:
47.56
Logp:
4.48682
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: C₈H₈BrNO₃
Molecular Weight: 246.06
Synonyms: None
SMILES: COCC1=C(C=C(Br)C=C1)[N+]([O-])=O
Tpsa: 52.37
Logp: 2.5037
H Acceptors: 3
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:
C₈H₈BrNO₃
Molecular Weight:
246.06
Synonyms:
None
SMILES:
COCC1=C(C=C(Br)C=C1)[N+]([O-])=O
Tpsa:
52.37
Logp:
2.5037
H Acceptors:
3
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: C₁₁H₁₁NO₃S
Molecular Weight: 237.27
Synonyms: None
SMILES: CCOC(=O)C1=C(C=O)C2=C(N1)C=C(C)S2
Tpsa: 59.16
Logp: 2.52702
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:
C₁₁H₁₁NO₃S
Molecular Weight:
237.27
Synonyms:
None
SMILES:
CCOC(=O)C1=C(C=O)C2=C(N1)C=C(C)S2
Tpsa:
59.16
Logp:
2.52702
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3