CS-1000989
Fluralaner Impurity 21
Manufacturer: ChemScene
CAS Number: 1309959-45-2
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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
C₁₈H₁₂BrClF₃NO₃
Molecular Weight
462.64
Synonyms
None
SMILES
O=C(O)C=1C=CC(=CC1C)C2=NOC(C=3C=C(Cl)C=C(Br)C3)(C2)C(F)(F)F
Tpsa
58.89
Logp
5.69132
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: C₁₈H₁₂BrClF₃NO₃
Molecular Weight: 462.64
Synonyms: None
SMILES: O=C(O)C=1C=CC(=CC1C)C2=NOC(C=3C=C(Cl)C=C(Br)C3)(C2)C(F)(F)F
Tpsa: 58.89
Logp: 5.69132
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:
C₁₈H₁₂BrClF₃NO₃
Molecular Weight:
462.64
Synonyms:
None
SMILES:
O=C(O)C=1C=CC(=CC1C)C2=NOC(C=3C=C(Cl)C=C(Br)C3)(C2)C(F)(F)F
Tpsa:
58.89
Logp:
5.69132
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: C₁₂H₁₅NO₄
Molecular Weight: 237.25
Synonyms: None
SMILES: [C@@H](NC(OC1=CC=CC=C1)=O)([C@@H](C)C)C(O)=O
Tpsa: 75.63
Logp: 1.8842
H Acceptors: 3
H Donors: 2
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:
C₁₂H₁₅NO₄
Molecular Weight:
237.25
Synonyms:
None
SMILES:
[C@@H](NC(OC1=CC=CC=C1)=O)([C@@H](C)C)C(O)=O
Tpsa:
75.63
Logp:
1.8842
H Acceptors:
3
H Donors:
2
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: C₁₄H₁₁F₃O₃S
Molecular Weight: 316.30
Synonyms: None
SMILES: O=S(=O)(OC1=CC=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)C
Tpsa: 43.37
Logp: 3.78152
H Acceptors: 3
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:
C₁₄H₁₁F₃O₃S
Molecular Weight:
316.30
Synonyms:
None
SMILES:
O=S(=O)(OC1=CC=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)C
Tpsa:
43.37
Logp:
3.78152
H Acceptors:
3
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: C₃₆H₅₄I₆O₂₄
Molecular Weight: 1632.23
Synonyms: None
SMILES: C(I)[C@@H]1[C@@]2([C@H](O)[C@@H](O)[C@](O1)(O[C@@]3([C@@H](CI)O[C@@]([C@H](O)[C@H]3O)(O[C@@]4([C@@H](CI)O[C@@]([C@H](O)[C@H]4O)(O[C@]5([C@H](O)[C@@H](O)[C@@](O[C@]6([C@H](O)[C@@H](O)[C@@](O[C@]7([C@H](O)[C@@H](O)[C@@](O2)(O[C@@H]7CI)[H])[H])(O[C@@H]6CI)[H])[H])(O[C@@H]5CI)[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa: 353.52
Logp: -4.3986
H Acceptors: 24
H Donors: 12
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₅₄I₆O₂₄
Molecular Weight:
1632.23
Synonyms:
None
SMILES:
C(I)[C@@H]1[C@@]2([C@H](O)[C@@H](O)[C@](O1)(O[C@@]3([C@@H](CI)O[C@@]([C@H](O)[C@H]3O)(O[C@@]4([C@@H](CI)O[C@@]([C@H](O)[C@H]4O)(O[C@]5([C@H](O)[C@@H](O)[C@@](O[C@]6([C@H](O)[C@@H](O)[C@@](O[C@]7([C@H](O)[C@@H](O)[C@@](O2)(O[C@@H]7CI)[H])[H])(O[C@@H]6CI)[H])[H])(O[C@@H]5CI)[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa:
353.52
Logp:
-4.3986
H Acceptors:
24
H Donors:
12
Rotatable Bonds:
6