CS-0805854
4-Amino-2-(cyanomethyl)-5-(trifluoromethoxy)nicotinonitrile
Manufacturer: ChemScene
CAS Number: 1803549-56-5
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Purity
98%
MDL No
MFCD28866751
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₅F₃N₄O
Molecular Weight
242.16
Synonyms
None
SMILES
C1=C(C(=C(C(=N1)CC#N)C#N)N)OC(F)(F)F
Tpsa
95.72
Logp
1.50016
H Acceptors
5
H Donors
1
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: MFCD28866751
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅F₃N₄O
Molecular Weight: 242.16
Synonyms: None
SMILES: C1=C(C(=C(C(=N1)CC#N)C#N)N)OC(F)(F)F
Tpsa: 95.72
Logp: 1.50016
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD28866751
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅F₃N₄O
Molecular Weight:
242.16
Synonyms:
None
SMILES:
C1=C(C(=C(C(=N1)CC#N)C#N)N)OC(F)(F)F
Tpsa:
95.72
Logp:
1.50016
H Acceptors:
5
H Donors:
1
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: C₂₅H₃₂B₂O₅
Molecular Weight: 434.14
Synonyms: None
SMILES: O=C(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)C3=CC=C(B4OC(C)(C)C(C)(C)O4)C=C3
Tpsa: 53.99
Logp: 3.516
H Acceptors: 5
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:
C₂₅H₃₂B₂O₅
Molecular Weight:
434.14
Synonyms:
None
SMILES:
O=C(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)C3=CC=C(B4OC(C)(C)C(C)(C)O4)C=C3
Tpsa:
53.99
Logp:
3.516
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD28723137
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆F₄N₂O
Molecular Weight: 234.15
Synonyms: None
SMILES: N#CCC1=CC=C(N)C(F)=C1OC(F)(F)F
Tpsa: 59.04
Logp: 2.37258
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD28723137
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆F₄N₂O
Molecular Weight:
234.15
Synonyms:
None
SMILES:
N#CCC1=CC=C(N)C(F)=C1OC(F)(F)F
Tpsa:
59.04
Logp:
2.37258
H Acceptors:
3
H Donors:
1
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: C₅H₈BNO₂S
Molecular Weight: 157.00
Synonyms: None
SMILES: CCC1=NC=C(B(O)O)S1
Tpsa: 53.35
Logp: -0.6147
H Acceptors: 4
H Donors: 2
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:
C₅H₈BNO₂S
Molecular Weight:
157.00
Synonyms:
None
SMILES:
CCC1=NC=C(B(O)O)S1
Tpsa:
53.35
Logp:
-0.6147
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2