CS-0739423
4-(2-Chlorophenyl)-3-Oxobutyric acid methyl ester
Manufacturer: ChemScene
CAS Number: 116921-39-2
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Purity
97%
MDL No
MFCD08457109
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₁ClO₃
Molecular Weight
226.66
Synonyms
None
SMILES
COC(=O)CC(=O)CC1=C(Cl)C=CC=C1
Tpsa
43.37
Logp
2.0147
H Acceptors
3
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 116921-39-2 | Methyl 4-(2-chlorophenyl)-3-oxobutanoate | 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: 97%
MDL No: MFCD08457109
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁ClO₃
Molecular Weight: 226.66
Synonyms: None
SMILES: COC(=O)CC(=O)CC1=C(Cl)C=CC=C1
Tpsa: 43.37
Logp: 2.0147
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
MFCD08457109
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁ClO₃
Molecular Weight:
226.66
Synonyms:
None
SMILES:
COC(=O)CC(=O)CC1=C(Cl)C=CC=C1
Tpsa:
43.37
Logp:
2.0147
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD06804805
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₀N₄O
Molecular Weight: 154.17
Synonyms: None
SMILES: NCCNC(=O)C1=CC=NN1
Tpsa: 83.8
Logp: -0.9018
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD06804805
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₀N₄O
Molecular Weight:
154.17
Synonyms:
None
SMILES:
NCCNC(=O)C1=CC=NN1
Tpsa:
83.8
Logp:
-0.9018
H Acceptors:
3
H Donors:
3
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: C₁₂H₁₀N₂OS
Molecular Weight: 230.29
Synonyms: None
SMILES: S=C1NC=CC(=N1)C1=CC2=C(OCC2)C=C1
Tpsa: 37.91
Logp: 2.74109
H Acceptors: 3
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:
C₁₂H₁₀N₂OS
Molecular Weight:
230.29
Synonyms:
None
SMILES:
S=C1NC=CC(=N1)C1=CC2=C(OCC2)C=C1
Tpsa:
37.91
Logp:
2.74109
H Acceptors:
3
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: C₁₀H₇F₃N₂S
Molecular Weight: 244.24
Synonyms: None
SMILES: FC(F)(F)C1=CC(C2CC2)=C(C#N)C(=S)N1
Tpsa: 39.58
Logp: 3.51207
H Acceptors: 2
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:
C₁₀H₇F₃N₂S
Molecular Weight:
244.24
Synonyms:
None
SMILES:
FC(F)(F)C1=CC(C2CC2)=C(C#N)C(=S)N1
Tpsa:
39.58
Logp:
3.51207
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1