CS-0356433
Methyl 8-isopropyl-4-(((trifluoromethyl)sulfonyl)oxy)quinoline-2-carboxylate
Manufacturer: ChemScene
CAS Number: 187401-27-0
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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
C₁₅H₁₄F₃NO₅S
Molecular Weight
377.34
Synonyms
2-Quinolinecarboxylic acid, 8-(1-methylethyl)-4-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
SMILES
O=C(C1=NC2=C(C(C)C)C=CC=C2C(OS(=O)(C(F)(F)F)=O)=C1)OC
Tpsa
82.56
Logp
3.3732
H Acceptors
6
H Donors
0
Rotatable Bonds
4
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: C₁₅H₁₄F₃NO₅S
Molecular Weight: 377.34
Synonyms: 2-Quinolinecarboxylic acid, 8-(1-methylethyl)-4-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
SMILES: O=C(C1=NC2=C(C(C)C)C=CC=C2C(OS(=O)(C(F)(F)F)=O)=C1)OC
Tpsa: 82.56
Logp: 3.3732
H Acceptors: 6
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:
C₁₅H₁₄F₃NO₅S
Molecular Weight:
377.34
Synonyms:
2-Quinolinecarboxylic acid, 8-(1-methylethyl)-4-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
SMILES:
O=C(C1=NC2=C(C(C)C)C=CC=C2C(OS(=O)(C(F)(F)F)=O)=C1)OC
Tpsa:
82.56
Logp:
3.3732
H Acceptors:
6
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: C₁₂H₁₆BN₃O₂
Molecular Weight: 245.09
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=CN=C3C(NN=C3)=C2)O1
Tpsa: 60.03
Logp: 1.2571
H Acceptors: 4
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:
C₁₂H₁₆BN₃O₂
Molecular Weight:
245.09
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=CN=C3C(NN=C3)=C2)O1
Tpsa:
60.03
Logp:
1.2571
H Acceptors:
4
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: C₁₁H₁₄BrFN₂
Molecular Weight: 273.14
Synonyms: None
SMILES: FC1=C(CN2CCNCC2)C(Br)=CC=C1
Tpsa: 15.27
Logp: 1.9934
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:
C₁₁H₁₄BrFN₂
Molecular Weight:
273.14
Synonyms:
None
SMILES:
FC1=C(CN2CCNCC2)C(Br)=CC=C1
Tpsa:
15.27
Logp:
1.9934
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD22044812
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆BFO₄
Molecular Weight: 266.07
Synonyms: 2-Carboxy-3-fluorobenzeneboronic acid pinacol ester
SMILES: O=C(O)C1=C(B2OC(C)(C)C(C)(C)O2)C=CC=C1F
Tpsa: 55.76
Logp: 1.8231
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD22044812
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆BFO₄
Molecular Weight:
266.07
Synonyms:
2-Carboxy-3-fluorobenzeneboronic acid pinacol ester
SMILES:
O=C(O)C1=C(B2OC(C)(C)C(C)(C)O2)C=CC=C1F
Tpsa:
55.76
Logp:
1.8231
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2