CS-0784433
Methyl 2-(4-chloro-3-cyanophenyl)-3-oxobutanoate
Manufacturer: ChemScene
CAS Number: 2711739-06-7
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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
C₁₂H₁₀ClNO₃
Molecular Weight
251.67
Synonyms
None
SMILES
O=C(OC)C(C(C)=O)C1=CC=C(Cl)C(C#N)=C1
Tpsa
67.16
Logp
2.05728
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: C₁₂H₁₀ClNO₃
Molecular Weight: 251.67
Synonyms: None
SMILES: O=C(OC)C(C(C)=O)C1=CC=C(Cl)C(C#N)=C1
Tpsa: 67.16
Logp: 2.05728
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:
C₁₂H₁₀ClNO₃
Molecular Weight:
251.67
Synonyms:
None
SMILES:
O=C(OC)C(C(C)=O)C1=CC=C(Cl)C(C#N)=C1
Tpsa:
67.16
Logp:
2.05728
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: C₁₄H₁₄BrNO₄
Molecular Weight: 340.17
Synonyms: None
SMILES: O=C(OCC)C(C1=CC=C(C#N)C=C1Br)C(OCC)=O
Tpsa: 76.39
Logp: 2.53058
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄BrNO₄
Molecular Weight:
340.17
Synonyms:
None
SMILES:
O=C(OCC)C(C1=CC=C(C#N)C=C1Br)C(OCC)=O
Tpsa:
76.39
Logp:
2.53058
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁N
Molecular Weight: 157.21
Synonyms: None
SMILES: N#CC1=CC(C)=C(C=C)C(C)=C1
Tpsa: 23.79
Logp: 2.81812
H Acceptors: 1
H Donors: 0
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:
C₁₁H₁₁N
Molecular Weight:
157.21
Synonyms:
None
SMILES:
N#CC1=CC(C)=C(C=C)C(C)=C1
Tpsa:
23.79
Logp:
2.81812
H Acceptors:
1
H Donors:
0
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: C₁₁H₁₀ClFO₃
Molecular Weight: 244.65
Synonyms: None
SMILES: O=C(OC)C(C(C)=O)C1=CC=C(Cl)C(F)=C1
Tpsa: 43.37
Logp: 2.3247
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:
C₁₁H₁₀ClFO₃
Molecular Weight:
244.65
Synonyms:
None
SMILES:
O=C(OC)C(C(C)=O)C1=CC=C(Cl)C(F)=C1
Tpsa:
43.37
Logp:
2.3247
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3