CS-0525696
3-(4-Bromo-3-fluorophenyl)-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 1250529-97-5
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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
C₉H₅BrFNO
Molecular Weight
242.04
Synonyms
4-Bromo-3-fluorobenzoylacetonitrile
SMILES
N#CCC(C1=CC=C(Br)C(F)=C1)=O
Tpsa
40.86
Logp
2.68458
H Acceptors
2
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1250529-97-5 | 4-Bromo-3-fluorobenzoylacetonitrile | A2B Chem | -- |
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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: C₉H₅BrFNO
Molecular Weight: 242.04
Synonyms: 4-Bromo-3-fluorobenzoylacetonitrile
SMILES: N#CCC(C1=CC=C(Br)C(F)=C1)=O
Tpsa: 40.86
Logp: 2.68458
H Acceptors: 2
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:
C₉H₅BrFNO
Molecular Weight:
242.04
Synonyms:
4-Bromo-3-fluorobenzoylacetonitrile
SMILES:
N#CCC(C1=CC=C(Br)C(F)=C1)=O
Tpsa:
40.86
Logp:
2.68458
H Acceptors:
2
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: C₁₀H₁₃NO₂S
Molecular Weight: 211.28
Synonyms: None
SMILES: O=C(O)C1=CC=CC(CSCCN)=C1
Tpsa: 63.32
Logp: 1.5767
H Acceptors: 3
H Donors: 2
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:
C₁₀H₁₃NO₂S
Molecular Weight:
211.28
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(CSCCN)=C1
Tpsa:
63.32
Logp:
1.5767
H Acceptors:
3
H Donors:
2
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: C₁₀H₁₁BrF₃NO
Molecular Weight: 298.10
Synonyms: None
SMILES: NC(C1=CC(Br)=CC=C1OCC(F)(F)F)C
Tpsa: 35.25
Logp: 3.4099
H Acceptors: 2
H Donors: 1
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:
C₁₀H₁₁BrF₃NO
Molecular Weight:
298.10
Synonyms:
None
SMILES:
NC(C1=CC(Br)=CC=C1OCC(F)(F)F)C
Tpsa:
35.25
Logp:
3.4099
H Acceptors:
2
H Donors:
1
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: C₁₀H₁₃NO₂S
Molecular Weight: 211.28
Synonyms: None
SMILES: NC1=CC=C(S(=O)(CC2CC2)=O)C=C1
Tpsa: 60.16
Logp: 1.4525
H Acceptors: 3
H Donors: 1
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:
C₁₀H₁₃NO₂S
Molecular Weight:
211.28
Synonyms:
None
SMILES:
NC1=CC=C(S(=O)(CC2CC2)=O)C=C1
Tpsa:
60.16
Logp:
1.4525
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3