CS-0644676
2-(Cyanomethyl)-5-fluoro-4-(trifluoromethyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2771024-22-5
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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
C₁₀H₅F₄NO₂
Molecular Weight
247.15
Synonyms
None
SMILES
O=C(O)C1=CC(F)=C(C(F)(F)F)C=C1CC#N
Tpsa
61.09
Logp
2.60878
H Acceptors
2
H Donors
1
Rotatable Bonds
2
Related Products
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: C₁₀H₅F₄NO₂
Molecular Weight: 247.15
Synonyms: None
SMILES: O=C(O)C1=CC(F)=C(C(F)(F)F)C=C1CC#N
Tpsa: 61.09
Logp: 2.60878
H Acceptors: 2
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:
C₁₀H₅F₄NO₂
Molecular Weight:
247.15
Synonyms:
None
SMILES:
O=C(O)C1=CC(F)=C(C(F)(F)F)C=C1CC#N
Tpsa:
61.09
Logp:
2.60878
H Acceptors:
2
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: C₉H₉BrO₂
Molecular Weight: 229.07
Synonyms: None
SMILES: BrC1=CC=C(OC[C@@H]2OC2)C=C1
Tpsa: 21.76
Logp: 2.2267
H Acceptors: 2
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:
C₉H₉BrO₂
Molecular Weight:
229.07
Synonyms:
None
SMILES:
BrC1=CC=C(OC[C@@H]2OC2)C=C1
Tpsa:
21.76
Logp:
2.2267
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₅BrN₂S
Molecular Weight: 229.10
Synonyms: None
SMILES: CC1=C(Br)C2=NSN=C2C=C1
Tpsa: 25.78
Logp: 2.76222
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅BrN₂S
Molecular Weight:
229.10
Synonyms:
None
SMILES:
CC1=C(Br)C2=NSN=C2C=C1
Tpsa:
25.78
Logp:
2.76222
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₉F₄NO
Molecular Weight: 259.20
Synonyms: None
SMILES: O=C1NCC2(C3=C1C=C(F)C(C(F)(F)F)=C3)CC2
Tpsa: 29.1
Logp: 2.6195
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₉F₄NO
Molecular Weight:
259.20
Synonyms:
None
SMILES:
O=C1NCC2(C3=C1C=C(F)C(C(F)(F)F)=C3)CC2
Tpsa:
29.1
Logp:
2.6195
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0