CS-0006910
Benzenepropanoic acid, α-acetyl-4-bromo-β-oxo-, methyl ester
Manufacturer: ChemScene
CAS Number: 85963-90-2
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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
C₁₂H₁₁BrO₄
Molecular Weight
299.12
Synonyms
None
SMILES
CC(C(C(C1=CC=C(Br)C=C1)=O)C(OC)=O)=O
Tpsa
60.44
Logp
2.01
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 85963-90-2 | Benzenepropanoic acid, α-acetyl-4-bromo-β-oxo-, methyl ester | A2B Chem | -- |
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: C₁₂H₁₁BrO₄
Molecular Weight: 299.12
Synonyms: None
SMILES: CC(C(C(C1=CC=C(Br)C=C1)=O)C(OC)=O)=O
Tpsa: 60.44
Logp: 2.01
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁BrO₄
Molecular Weight:
299.12
Synonyms:
None
SMILES:
CC(C(C(C1=CC=C(Br)C=C1)=O)C(OC)=O)=O
Tpsa:
60.44
Logp:
2.01
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: -20°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₂ClN₅O₃
Molecular Weight: 343.81
Synonyms: (2R)-2-[(2-amino-6-chloropurin-9-yl)methyl]-4,4-diethoxybutan-1-ol
SMILES: NC1=NC(Cl)=C2C(N(C[C@H](CO)CC(OCC)OCC)C=N2)=N1
Tpsa: 108.31
Logp: 1.4596
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂ClN₅O₃
Molecular Weight:
343.81
Synonyms:
(2R)-2-[(2-amino-6-chloropurin-9-yl)methyl]-4,4-diethoxybutan-1-ol
SMILES:
NC1=NC(Cl)=C2C(N(C[C@H](CO)CC(OCC)OCC)C=N2)=N1
Tpsa:
108.31
Logp:
1.4596
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₅NO
Molecular Weight: 259.39
Synonyms: None
SMILES: CC(C)OC1=CC=CC(C2(C)[C@@H](C)CN(C)C=C2)=C1
Tpsa: 12.47
Logp: 3.8267
H Acceptors: 2
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:
C₁₇H₂₅NO
Molecular Weight:
259.39
Synonyms:
None
SMILES:
CC(C)OC1=CC=CC(C2(C)[C@@H](C)CN(C)C=C2)=C1
Tpsa:
12.47
Logp:
3.8267
H Acceptors:
2
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: C₁₄H₂₁NO
Molecular Weight: 219.32
Synonyms: None
SMILES: OC1=CC=CC([C@@]2(C)[C@@H](C)CN(C)CC2)=C1
Tpsa: 23.47
Logp: 2.6215
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:
C₁₄H₂₁NO
Molecular Weight:
219.32
Synonyms:
None
SMILES:
OC1=CC=CC([C@@]2(C)[C@@H](C)CN(C)CC2)=C1
Tpsa:
23.47
Logp:
2.6215
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1