CS-0999862
Ethyl 2-bromo-5-fluoro-β-oxobenzenepropanoate
Manufacturer: ChemScene
CAS Number: 1020058-49-4
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₀BrFO₃
Molecular Weight
289.10
Synonyms
None
SMILES
O=C(OCC)CC(=O)C1=CC(F)=CC=C1Br
Tpsa
43.37
Logp
2.7241
H Acceptors
3
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1020058-49-4 | Benzenepropanoic acid, 2-bromo-5-fluoro-β-oxo-, ethyl ester | 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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀BrFO₃
Molecular Weight: 289.10
Synonyms: None
SMILES: O=C(OCC)CC(=O)C1=CC(F)=CC=C1Br
Tpsa: 43.37
Logp: 2.7241
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀BrFO₃
Molecular Weight:
289.10
Synonyms:
None
SMILES:
O=C(OCC)CC(=O)C1=CC(F)=CC=C1Br
Tpsa:
43.37
Logp:
2.7241
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₄₃NO₄
Molecular Weight: 493.68
Synonyms: None
SMILES: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NCCCCCCCCCCCCCCCC(=O)O
Tpsa: 75.63
Logp: 8.0711
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 18
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₃NO₄
Molecular Weight:
493.68
Synonyms:
None
SMILES:
O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NCCCCCCCCCCCCCCCC(=O)O
Tpsa:
75.63
Logp:
8.0711
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₈H₅₅NO₁₄
Molecular Weight: 990.06
Synonyms: None
SMILES: O(CC1=CC=CC=C1)[C@@H]2[C@H]([C@H](OC3=CC=C(OC)C=C3)O[C@H](COCC4=CC=CC=C4)[C@H]2O[C@H]5[C@@H](OC(=O)C6=CC=CC=C6)[C@@H](OCC=C)[C@]7([C@](O5)(CO[C@H](O7)C8=CC=CC=C8)[H])[H])N9C(=O)C=%10C(C9=O)=CC=CC%10
Tpsa: 155.98
Logp: 8.287
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₈H₅₅NO₁₄
Molecular Weight:
990.06
Synonyms:
None
SMILES:
O(CC1=CC=CC=C1)[C@@H]2[C@H]([C@H](OC3=CC=C(OC)C=C3)O[C@H](COCC4=CC=CC=C4)[C@H]2O[C@H]5[C@@H](OC(=O)C6=CC=CC=C6)[C@@H](OCC=C)[C@]7([C@](O5)(CO[C@H](O7)C8=CC=CC=C8)[H])[H])N9C(=O)C=%10C(C9=O)=CC=CC%10
Tpsa:
155.98
Logp:
8.287
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
19
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₃H₈₉N₅O₃₂S
Molecular Weight: 1340.35
Synonyms: None
SMILES: O([C@@H]1[C@@H](CO[C@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O2)O[C@@H](OCCCNC(CCCC[C@H]3[C@@]4([C@](CS3)(NC(=O)N4)[H])[H])=O)[C@H](NC(C)=O)[C@H]1O)[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@H]6[C@@H](O)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H](CO[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]8O)O6)[C@@H](CO)O5
Tpsa: 562.87
Logp: -11.5288
H Acceptors: 33
H Donors: 21
Rotatable Bonds: 27
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₃H₈₉N₅O₃₂S
Molecular Weight:
1340.35
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](CO[C@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O2)O[C@@H](OCCCNC(CCCC[C@H]3[C@@]4([C@](CS3)(NC(=O)N4)[H])[H])=O)[C@H](NC(C)=O)[C@H]1O)[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@H]6[C@@H](O)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H](CO[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]8O)O6)[C@@H](CO)O5
Tpsa:
562.87
Logp:
-11.5288
H Acceptors:
33
H Donors:
21
Rotatable Bonds:
27