CS-1153999
3-(Difluoromethyl)-2-methoxyisonicotinonitrile
Manufacturer: ChemScene
CAS Number: 1806764-84-0
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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
C₈H₆F₂N₂O
Molecular Weight
184.15
Synonyms
None
SMILES
N#CC=1C=CN=C(OC)C1C(F)F
Tpsa
45.91
Logp
1.89948
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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: C₈H₆F₂N₂O
Molecular Weight: 184.15
Synonyms: None
SMILES: N#CC=1C=CN=C(OC)C1C(F)F
Tpsa: 45.91
Logp: 1.89948
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:
C₈H₆F₂N₂O
Molecular Weight:
184.15
Synonyms:
None
SMILES:
N#CC=1C=CN=C(OC)C1C(F)F
Tpsa:
45.91
Logp:
1.89948
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD02094594
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₂H₅₉NO₁₈
Molecular Weight: 986.02
Synonyms: 7-Xylosylpaclitaxel; Taxol-7-xyloside
SMILES: O=C(C1=CC=CC=C1)N[C@@H](C2=CC=CC=C2)[C@@H](O)C(O[C@@H]3C(C)=C([C@@H](OC(C)=O)C([C@@]4(C)[C@]([C@](OC(C)=O)(CO5)[C@@]5([H])C[C@@H]4O[C@@]6([H])[C@H](O)[C@@H](O)[C@H](O)CO6)([H])[C@@H]7OC(C8=CC=CC=C8)=O)=O)C(C)(C)[C@@]7(O)C3)=O
Tpsa: 280.21
Logp: 2.199
H Acceptors: 18
H Donors: 6
Rotatable Bonds: 12
Purity:
97%
MDL No:
MFCD02094594
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₅₉NO₁₈
Molecular Weight:
986.02
Synonyms:
7-Xylosylpaclitaxel; Taxol-7-xyloside
SMILES:
O=C(C1=CC=CC=C1)N[C@@H](C2=CC=CC=C2)[C@@H](O)C(O[C@@H]3C(C)=C([C@@H](OC(C)=O)C([C@@]4(C)[C@]([C@](OC(C)=O)(CO5)[C@@]5([H])C[C@@H]4O[C@@]6([H])[C@H](O)[C@@H](O)[C@H](O)CO6)([H])[C@@H]7OC(C8=CC=CC=C8)=O)=O)C(C)(C)[C@@]7(O)C3)=O
Tpsa:
280.21
Logp:
2.199
H Acceptors:
18
H Donors:
6
Rotatable Bonds:
12
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈F₃NO₂
Molecular Weight: 219.16
Synonyms: None
SMILES: O=C(O)CC=1N=C(C(F)=C(C1)C(F)F)C
Tpsa: 50.19
Logp: 2.09382
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈F₃NO₂
Molecular Weight:
219.16
Synonyms:
None
SMILES:
O=C(O)CC=1N=C(C(F)=C(C1)C(F)F)C
Tpsa:
50.19
Logp:
2.09382
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₄F₄N₂O
Molecular Weight: 208.12
Synonyms: None
SMILES: O=C(N)C1=C(F)C=C(F)N=C1C(F)F
Tpsa: 55.98
Logp: 1.3963
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₄F₄N₂O
Molecular Weight:
208.12
Synonyms:
None
SMILES:
O=C(N)C1=C(F)C=C(F)N=C1C(F)F
Tpsa:
55.98
Logp:
1.3963
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2