CS-1176254
tert-Butyl 2-(3-bromo-5-chlorophenyl)-2-oxoacetate
Manufacturer: ChemScene
CAS Number: 3047837-16-8
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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
C₁₂H₁₂BrClO₃
Molecular Weight
319.58
Synonyms
None
SMILES
O=C(OC(C)(C)C)C(C1=CC(Cl)=CC(Br)=C1)=O
Tpsa
43.37
Logp
3.6269
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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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: C₁₂H₁₂BrClO₃
Molecular Weight: 319.58
Synonyms: None
SMILES: O=C(OC(C)(C)C)C(C1=CC(Cl)=CC(Br)=C1)=O
Tpsa: 43.37
Logp: 3.6269
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:
C₁₂H₁₂BrClO₃
Molecular Weight:
319.58
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)C(C1=CC(Cl)=CC(Br)=C1)=O
Tpsa:
43.37
Logp:
3.6269
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: C₅H₇NO₂
Molecular Weight: 113.11
Synonyms: None
SMILES: O=C1O[C@]2([H])CC[C@]2([H])N1
Tpsa: 38.33
Logp: 0.2572
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₇NO₂
Molecular Weight:
113.11
Synonyms:
None
SMILES:
O=C1O[C@]2([H])CC[C@]2([H])N1
Tpsa:
38.33
Logp:
0.2572
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₃BF₃NO₆
Molecular Weight: 487.32
Synonyms: None
SMILES: O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C(F)F)=C1F
Tpsa: 83.09
Logp: 4.5815
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₃BF₃NO₆
Molecular Weight:
487.32
Synonyms:
None
SMILES:
O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C(F)F)=C1F
Tpsa:
83.09
Logp:
4.5815
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₅BFNO₆
Molecular Weight: 451.34
Synonyms: None
SMILES: O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C)=C1F
Tpsa: 83.09
Logp: 3.95232
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₅BFNO₆
Molecular Weight:
451.34
Synonyms:
None
SMILES:
O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C)=C1F
Tpsa:
83.09
Logp:
3.95232
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
6