CS-0867039
4-Ethynyl-3-(trifluoromethyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2504954-38-3
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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
C₁₀H₅F₃O₂
Molecular Weight
214.14
Synonyms
None
SMILES
O=C(O)C1=CC=C(C#C)C(C(F)(F)F)=C1
Tpsa
37.3
Logp
2.3849
H Acceptors
1
H Donors
1
Rotatable Bonds
1
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: C₁₀H₅F₃O₂
Molecular Weight: 214.14
Synonyms: None
SMILES: O=C(O)C1=CC=C(C#C)C(C(F)(F)F)=C1
Tpsa: 37.3
Logp: 2.3849
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₅F₃O₂
Molecular Weight:
214.14
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C#C)C(C(F)(F)F)=C1
Tpsa:
37.3
Logp:
2.3849
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₈N₂O
Molecular Weight: 124.14
Synonyms: None
SMILES: CC(C1=NNC=C1C)=O
Tpsa: 45.75
Logp: 0.92072
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₈N₂O
Molecular Weight:
124.14
Synonyms:
None
SMILES:
CC(C1=NNC=C1C)=O
Tpsa:
45.75
Logp:
0.92072
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁NO₃
Molecular Weight: 205.21
Synonyms: None
SMILES: O=C(C1=C(CO)NC2=C1C=CC=C2)OC
Tpsa: 62.32
Logp: 1.4468
H Acceptors: 3
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:
C₁₁H₁₁NO₃
Molecular Weight:
205.21
Synonyms:
None
SMILES:
O=C(C1=C(CO)NC2=C1C=CC=C2)OC
Tpsa:
62.32
Logp:
1.4468
H Acceptors:
3
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: C₁₀H₂₀N₂
Molecular Weight: 168.28
Synonyms: None
SMILES: NC1(CN2C[C@H](C)CC2)CCC1
Tpsa: 29.26
Logp: 1.2096
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:
C₁₀H₂₀N₂
Molecular Weight:
168.28
Synonyms:
None
SMILES:
NC1(CN2C[C@H](C)CC2)CCC1
Tpsa:
29.26
Logp:
1.2096
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2