CS-0547113
4-Methyl-3-(2,2,2-trifluoroacetyl)quinolin-2(1H)-one
Manufacturer: ChemScene
CAS Number: 727-58-2
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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
C₁₂H₈F₃NO₂
Molecular Weight
255.19
Synonyms
2,2,2-trifluoro-1-(2-hydroxy-4-methylquinolin-3-yl)ethan-1-one
SMILES
CC1=C(C(=O)NC2=CC=CC=C12)C(=O)C(F)(F)F
Tpsa
49.93
Logp
2.58152
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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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: C₁₂H₈F₃NO₂
Molecular Weight: 255.19
Synonyms: 2,2,2-trifluoro-1-(2-hydroxy-4-methylquinolin-3-yl)ethan-1-one
SMILES: CC1=C(C(=O)NC2=CC=CC=C12)C(=O)C(F)(F)F
Tpsa: 49.93
Logp: 2.58152
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:
C₁₂H₈F₃NO₂
Molecular Weight:
255.19
Synonyms:
2,2,2-trifluoro-1-(2-hydroxy-4-methylquinolin-3-yl)ethan-1-one
SMILES:
CC1=C(C(=O)NC2=CC=CC=C12)C(=O)C(F)(F)F
Tpsa:
49.93
Logp:
2.58152
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: C₈H₁₁BrN₂O
Molecular Weight: 231.09
Synonyms: None
SMILES: O=C1N=C(NC(=C1Br)C)C(C)C
Tpsa: 45.75
Logp: 1.96422
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:
C₈H₁₁BrN₂O
Molecular Weight:
231.09
Synonyms:
None
SMILES:
O=C1N=C(NC(=C1Br)C)C(C)C
Tpsa:
45.75
Logp:
1.96422
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: C₁₃H₁₇N₃S
Molecular Weight: 247.36
Synonyms: None
SMILES: CCCCN1C(=NNC1=S)CC2=CC=CC=C2
Tpsa: 33.61
Logp: 3.33159
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇N₃S
Molecular Weight:
247.36
Synonyms:
None
SMILES:
CCCCN1C(=NNC1=S)CC2=CC=CC=C2
Tpsa:
33.61
Logp:
3.33159
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₄BrF₃N₂O
Molecular Weight: 269.02
Synonyms: None
SMILES: O=C(NC1=NC=CC=C1Br)C(F)(F)F
Tpsa: 41.99
Logp: 2.3449
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:
C₇H₄BrF₃N₂O
Molecular Weight:
269.02
Synonyms:
None
SMILES:
O=C(NC1=NC=CC=C1Br)C(F)(F)F
Tpsa:
41.99
Logp:
2.3449
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1