CS-0253878
N-(3,5-Bis(trifluoromethyl)phenyl)-3-ethynylbenzamide
Manufacturer: ChemScene
CAS Number: 2499499-14-6
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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
C₁₇H₉F₆NO
Molecular Weight
357.25
Synonyms
None
SMILES
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2=CC=CC(C#C)=C2
Tpsa
29.1
Logp
4.9578
H Acceptors
1
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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₉F₆NO
Molecular Weight: 357.25
Synonyms: None
SMILES: O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2=CC=CC(C#C)=C2
Tpsa: 29.1
Logp: 4.9578
H Acceptors: 1
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:
C₁₇H₉F₆NO
Molecular Weight:
357.25
Synonyms:
None
SMILES:
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2=CC=CC(C#C)=C2
Tpsa:
29.1
Logp:
4.9578
H Acceptors:
1
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: C₁₆H₁₄IN₃O
Molecular Weight: 391.21
Synonyms: None
SMILES: COC1=CC=C(CN2N=NC(C3=CC=CC=C3)=C2I)C=C1
Tpsa: 39.94
Logp: 3.6066
H Acceptors: 4
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:
C₁₆H₁₄IN₃O
Molecular Weight:
391.21
Synonyms:
None
SMILES:
COC1=CC=C(CN2N=NC(C3=CC=CC=C3)=C2I)C=C1
Tpsa:
39.94
Logp:
3.6066
H Acceptors:
4
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: C₁₁H₁₀O₅
Molecular Weight: 222.19
Synonyms: None
SMILES: O=C(C1=CC2=C(CCCC2=O)OC1=O)OC
Tpsa: 73.58
Logp: 0.9454
H Acceptors: 5
H Donors: 0
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:
C₁₁H₁₀O₅
Molecular Weight:
222.19
Synonyms:
None
SMILES:
O=C(C1=CC2=C(CCCC2=O)OC1=O)OC
Tpsa:
73.58
Logp:
0.9454
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₈N₂O
Molecular Weight: 242.32
Synonyms: 2-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)ETHANOL
SMILES: OCCNC1=C(CCCC2)C2=NC3=CC=CC=C31
Tpsa: 45.15
Logp: 2.5178
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈N₂O
Molecular Weight:
242.32
Synonyms:
2-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)ETHANOL
SMILES:
OCCNC1=C(CCCC2)C2=NC3=CC=CC=C31
Tpsa:
45.15
Logp:
2.5178
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3