CS-0571872
1-(2-Hydroxyethyl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1632002-11-9
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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
C₁₅H₁₄F₃NO₃
Molecular Weight
313.27
Synonyms
1-(2-hydroxyethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
SMILES
CC1=C(N(C=C1C(=O)O)CCO)C2=CC=CC=C2C(F)(F)F
Tpsa
62.46
Logp
3.17282
H Acceptors
3
H Donors
2
Rotatable Bonds
4
Related Products
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: C₁₅H₁₄F₃NO₃
Molecular Weight: 313.27
Synonyms: 1-(2-hydroxyethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
SMILES: CC1=C(N(C=C1C(=O)O)CCO)C2=CC=CC=C2C(F)(F)F
Tpsa: 62.46
Logp: 3.17282
H Acceptors: 3
H Donors: 2
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:
C₁₅H₁₄F₃NO₃
Molecular Weight:
313.27
Synonyms:
1-(2-hydroxyethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
SMILES:
CC1=C(N(C=C1C(=O)O)CCO)C2=CC=CC=C2C(F)(F)F
Tpsa:
62.46
Logp:
3.17282
H Acceptors:
3
H Donors:
2
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: C₄H₁₂Br₂N₂O
Molecular Weight: 263.96
Synonyms: Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide
SMILES: C1COCCNN1.Br.Br
Tpsa: 33.29
Logp: 0.2666
H Acceptors: 3
H Donors: 2
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:
C₄H₁₂Br₂N₂O
Molecular Weight:
263.96
Synonyms:
Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide
SMILES:
C1COCCNN1.Br.Br
Tpsa:
33.29
Logp:
0.2666
H Acceptors:
3
H Donors:
2
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: C₁₃H₁₉NO₄S
Molecular Weight: 285.36
Synonyms: None
SMILES: O=C(OCCCC)CNS(=O)(=O)C1=CC=C(C=C1)C
Tpsa: 72.47
Logp: 1.61662
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉NO₄S
Molecular Weight:
285.36
Synonyms:
None
SMILES:
O=C(OCCCC)CNS(=O)(=O)C1=CC=C(C=C1)C
Tpsa:
72.47
Logp:
1.61662
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃ClF₃NO₂
Molecular Weight: 331.72
Synonyms: None
SMILES: CCOC(=O)C1=C(NC(=C1C)C2=CC=CC=C2C(F)(F)F)Cl
Tpsa: 42.09
Logp: 4.83902
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₃ClF₃NO₂
Molecular Weight:
331.72
Synonyms:
None
SMILES:
CCOC(=O)C1=C(NC(=C1C)C2=CC=CC=C2C(F)(F)F)Cl
Tpsa:
42.09
Logp:
4.83902
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3