CS-0565849
Methyl 3-cyano-4-isopropylbenzoate
Manufacturer: ChemScene
CAS Number: 957206-64-3
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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
C₁₂H₁₃NO₂
Molecular Weight
203.24
Synonyms
Benzoic acid, 3-cyano-4-(1-methylethyl)-, methyl ester
SMILES
N#CC1=CC(C(OC)=O)=CC=C1C(C)C
Tpsa
50.09
Logp
2.46828
H Acceptors
3
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | methyl 3-cyano-4-isopropylbenzoate | Aaron Chemicals LLC | ₹ 42,780.00 - ₹ 68,448.00 | |
| | 957206-64-3 | methyl 3-cyano-4-isopropylbenzoate | A2B Chem | -- |
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: C₁₂H₁₃NO₂
Molecular Weight: 203.24
Synonyms: Benzoic acid, 3-cyano-4-(1-methylethyl)-, methyl ester
SMILES: N#CC1=CC(C(OC)=O)=CC=C1C(C)C
Tpsa: 50.09
Logp: 2.46828
H Acceptors: 3
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:
C₁₂H₁₃NO₂
Molecular Weight:
203.24
Synonyms:
Benzoic acid, 3-cyano-4-(1-methylethyl)-, methyl ester
SMILES:
N#CC1=CC(C(OC)=O)=CC=C1C(C)C
Tpsa:
50.09
Logp:
2.46828
H Acceptors:
3
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: C₉H₁₂BrNO₂S
Molecular Weight: 278.17
Synonyms: None
SMILES: O=C(C1=C(N)C=C(Br)S1)OC(C)(C)C
Tpsa: 52.32
Logp: 3.0481
H Acceptors: 4
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:
C₉H₁₂BrNO₂S
Molecular Weight:
278.17
Synonyms:
None
SMILES:
O=C(C1=C(N)C=C(Br)S1)OC(C)(C)C
Tpsa:
52.32
Logp:
3.0481
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD26620377
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇NO₃
Molecular Weight: 141.12
Synonyms: 4-Ethyl-1,2-oxazole-5-carboxylic acid
SMILES: O=C(C1=C(CC)C=NO1)O
Tpsa: 63.33
Logp: 0.9352
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD26620377
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇NO₃
Molecular Weight:
141.12
Synonyms:
4-Ethyl-1,2-oxazole-5-carboxylic acid
SMILES:
O=C(C1=C(CC)C=NO1)O
Tpsa:
63.33
Logp:
0.9352
H Acceptors:
3
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: C₆H₆Br₂N₂O₃
Molecular Weight: 313.93
Synonyms: None
SMILES: BrC1=CC([N+]([O-])=O)=C(N)C(O)=C1.Br
Tpsa: 89.39
Logp: 2.223
H Acceptors: 4
H Donors: 2
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:
C₆H₆Br₂N₂O₃
Molecular Weight:
313.93
Synonyms:
None
SMILES:
BrC1=CC([N+]([O-])=O)=C(N)C(O)=C1.Br
Tpsa:
89.39
Logp:
2.223
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1