CS-1000979
Afoxolaner Impurity 15
Manufacturer: ChemScene
CAS Number: 1308362-48-2
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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
C₂₂H₁₂ClF₆NO₃
Molecular Weight
487.78
Synonyms
None
SMILES
O=C(O)C=1C=CC(=C2C=CC=CC12)C3=NOC(C=4C=C(Cl)C=C(C4)C(F)(F)F)(C3)C(F)(F)F
Tpsa
58.89
Logp
6.7924
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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: C₂₂H₁₂ClF₆NO₃
Molecular Weight: 487.78
Synonyms: None
SMILES: O=C(O)C=1C=CC(=C2C=CC=CC12)C3=NOC(C=4C=C(Cl)C=C(C4)C(F)(F)F)(C3)C(F)(F)F
Tpsa: 58.89
Logp: 6.7924
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:
C₂₂H₁₂ClF₆NO₃
Molecular Weight:
487.78
Synonyms:
None
SMILES:
O=C(O)C=1C=CC(=C2C=CC=CC12)C3=NOC(C=4C=C(Cl)C=C(C4)C(F)(F)F)(C3)C(F)(F)F
Tpsa:
58.89
Logp:
6.7924
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: C₄₀H₄₀N₄O₈
Molecular Weight: 704.77
Synonyms: None
SMILES: O=C(OC)C1=CC=C2C3=CC4=NC(=CC=5NC(C=C6N=C(C=C(N3)C2(C)C1C(=O)OC)C(=C6CCC(=O)O)C)=C(C5C)CCC(=O)O)C(C=C)=C4C
Tpsa: 184.56
Logp: 6.51852
H Acceptors: 8
H Donors: 4
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:
C₄₀H₄₀N₄O₈
Molecular Weight:
704.77
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C2C3=CC4=NC(=CC=5NC(C=C6N=C(C=C(N3)C2(C)C1C(=O)OC)C(=C6CCC(=O)O)C)=C(C5C)CCC(=O)O)C(C=C)=C4C
Tpsa:
184.56
Logp:
6.51852
H Acceptors:
8
H Donors:
4
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: C₄₀H₄₀N₄O₈
Molecular Weight: 704.77
Synonyms: None
SMILES: O=C(OC)C1=CC=C2C3=CC4=NC(=CC=5NC(C=C6N=C(C=C(N3)C2(C)C1C(=O)OC)C(C=C)=C6C)=C(C5CCC(=O)O)C)C(=C4C)CCC(=O)O
Tpsa: 184.56
Logp: 6.51852
H Acceptors: 8
H Donors: 4
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:
C₄₀H₄₀N₄O₈
Molecular Weight:
704.77
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C2C3=CC4=NC(=CC=5NC(C=C6N=C(C=C(N3)C2(C)C1C(=O)OC)C(C=C)=C6C)=C(C5CCC(=O)O)C)C(=C4C)CCC(=O)O
Tpsa:
184.56
Logp:
6.51852
H Acceptors:
8
H Donors:
4
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: C₉H₁₁N₃O₅
Molecular Weight: 241.20
Synonyms: None
SMILES: O=C(O)CC(=O)C=1C(=O)N(C(=O)N(C1N)C)C
Tpsa: 124.39
Logp: -1.6764
H Acceptors: 7
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:
C₉H₁₁N₃O₅
Molecular Weight:
241.20
Synonyms:
None
SMILES:
O=C(O)CC(=O)C=1C(=O)N(C(=O)N(C1N)C)C
Tpsa:
124.39
Logp:
-1.6764
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
3