CS-0867827
3-Cyano-2-(3,3,3-trifluoroprop-1-en-2-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2803902-78-3
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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
C₁₁H₆F₃NO₂
Molecular Weight
241.17
Synonyms
None
SMILES
O=C(O)C1=CC=CC(C#N)=C1C(C(F)(F)F)=C
Tpsa
61.09
Logp
2.83198
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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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: C₁₁H₆F₃NO₂
Molecular Weight: 241.17
Synonyms: None
SMILES: O=C(O)C1=CC=CC(C#N)=C1C(C(F)(F)F)=C
Tpsa: 61.09
Logp: 2.83198
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:
C₁₁H₆F₃NO₂
Molecular Weight:
241.17
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(C#N)=C1C(C(F)(F)F)=C
Tpsa:
61.09
Logp:
2.83198
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: C₁₁H₈BrF₃O
Molecular Weight: 293.08
Synonyms: None
SMILES: O=C1CCCC2=C1C=CC(Br)=C2C(F)(F)F
Tpsa: 17.07
Logp: 3.9869
H Acceptors: 1
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:
C₁₁H₈BrF₃O
Molecular Weight:
293.08
Synonyms:
None
SMILES:
O=C1CCCC2=C1C=CC(Br)=C2C(F)(F)F
Tpsa:
17.07
Logp:
3.9869
H Acceptors:
1
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: C₁₁H₉BrO₃
Molecular Weight: 269.09
Synonyms: None
SMILES: O=C(CC1=COC2=C1C(Br)=CC=C2C)O
Tpsa: 50.44
Logp: 3.13082
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:
C₁₁H₉BrO₃
Molecular Weight:
269.09
Synonyms:
None
SMILES:
O=C(CC1=COC2=C1C(Br)=CC=C2C)O
Tpsa:
50.44
Logp:
3.13082
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: C₁₂H₈F₃NO₄S
Molecular Weight: 319.26
Synonyms: None
SMILES: O=S(C(F)(F)F)(OC(C(C#N)=CC=C12)=C2CCCC1=O)=O
Tpsa: 84.23
Logp: 2.30568
H Acceptors: 5
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:
C₁₂H₈F₃NO₄S
Molecular Weight:
319.26
Synonyms:
None
SMILES:
O=S(C(F)(F)F)(OC(C(C#N)=CC=C12)=C2CCCC1=O)=O
Tpsa:
84.23
Logp:
2.30568
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2