CS-0508908
Methyl 2-(2-(3-bromo-4-fluorophenyl)acetyl)nicotinate
Manufacturer: ChemScene
CAS Number: 1036402-42-2
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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
C₁₅H₁₁BrFNO₃
Molecular Weight
352.16
Synonyms
None
SMILES
O=C(OC)C1=C(C(CC2=CC=C(F)C(Br)=C2)=O)N=CC=C1
Tpsa
56.26
Logp
3.1952
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1036402-42-2 | Methyl 2-(2-(3-bromo-4-fluorophenyl)acetyl)nicotinate | 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: C₁₅H₁₁BrFNO₃
Molecular Weight: 352.16
Synonyms: None
SMILES: O=C(OC)C1=C(C(CC2=CC=C(F)C(Br)=C2)=O)N=CC=C1
Tpsa: 56.26
Logp: 3.1952
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:
C₁₅H₁₁BrFNO₃
Molecular Weight:
352.16
Synonyms:
None
SMILES:
O=C(OC)C1=C(C(CC2=CC=C(F)C(Br)=C2)=O)N=CC=C1
Tpsa:
56.26
Logp:
3.1952
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: C₁₆H₁₂FN₃O₃
Molecular Weight: 313.28
Synonyms: Benzoic acid, 5-[(5,6-dihydro-5-oxopyrido[2,3-d]pyridazin-8-yl)methyl]-2-fluoro-, methyl ester
SMILES: O=C(OC)C1=CC(CC(C2=NC=CC=C23)=NNC3=O)=CC=C1F
Tpsa: 84.94
Logp: 1.8346
H Acceptors: 5
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:
C₁₆H₁₂FN₃O₃
Molecular Weight:
313.28
Synonyms:
Benzoic acid, 5-[(5,6-dihydro-5-oxopyrido[2,3-d]pyridazin-8-yl)methyl]-2-fluoro-, methyl ester
SMILES:
O=C(OC)C1=CC(CC(C2=NC=CC=C23)=NNC3=O)=CC=C1F
Tpsa:
84.94
Logp:
1.8346
H Acceptors:
5
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: C₁₆H₁₆FN₃O₃
Molecular Weight: 317.31
Synonyms: Benzoic acid, 2-fluoro-5-[(1,2,3,4,5,6-hexahydro-5-oxopyrido[2,3-d]pyridazin-8-yl)methyl]-, methyl ester
SMILES: O=C(OC)C1=CC(CC(C2=C3CCCN2)=NNC3=O)=CC=C1F
Tpsa: 84.08
Logp: 1.6445
H Acceptors: 5
H Donors: 2
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:
C₁₆H₁₆FN₃O₃
Molecular Weight:
317.31
Synonyms:
Benzoic acid, 2-fluoro-5-[(1,2,3,4,5,6-hexahydro-5-oxopyrido[2,3-d]pyridazin-8-yl)methyl]-, methyl ester
SMILES:
O=C(OC)C1=CC(CC(C2=C3CCCN2)=NNC3=O)=CC=C1F
Tpsa:
84.08
Logp:
1.6445
H Acceptors:
5
H Donors:
2
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: C₁₅H₁₄FN₃O₃
Molecular Weight: 303.29
Synonyms: 2-Fluoro-5-[(5-oxo-1,2,3,4,5,6-hexahydropyrido[2,3-d]pyridazin-8-yl)methyl]benzoic Acid
SMILES: O=C(O)C1=CC(CC(C2=C3CCCN2)=NNC3=O)=CC=C1F
Tpsa: 95.08
Logp: 1.5561
H Acceptors: 4
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:
C₁₅H₁₄FN₃O₃
Molecular Weight:
303.29
Synonyms:
2-Fluoro-5-[(5-oxo-1,2,3,4,5,6-hexahydropyrido[2,3-d]pyridazin-8-yl)methyl]benzoic Acid
SMILES:
O=C(O)C1=CC(CC(C2=C3CCCN2)=NNC3=O)=CC=C1F
Tpsa:
95.08
Logp:
1.5561
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
3