CS-0666394
Methyl (s)-3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetamido)propanoate
Manufacturer: ChemScene
CAS Number: 5106-00-3
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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
C₁₂H₁₁F₃N₂O₆
Molecular Weight
336.22
Synonyms
None
SMILES
COC(=O)[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)C(F)(F)F
Tpsa
118.77
Logp
1.063
H Acceptors
6
H Donors
2
Rotatable Bonds
5
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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: C₁₂H₁₁F₃N₂O₆
Molecular Weight: 336.22
Synonyms: None
SMILES: COC(=O)[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)C(F)(F)F
Tpsa: 118.77
Logp: 1.063
H Acceptors: 6
H Donors: 2
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:
C₁₂H₁₁F₃N₂O₆
Molecular Weight:
336.22
Synonyms:
None
SMILES:
COC(=O)[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)C(F)(F)F
Tpsa:
118.77
Logp:
1.063
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD16539634
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆O₄
Molecular Weight: 248.27
Synonyms: None
SMILES: CCOC(=O)COC1=CC2=C(C=C1)C(=O)CCC2
Tpsa: 52.6
Logp: 2.1475
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD16539634
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆O₄
Molecular Weight:
248.27
Synonyms:
None
SMILES:
CCOC(=O)COC1=CC2=C(C=C1)C(=O)CCC2
Tpsa:
52.6
Logp:
2.1475
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD26395060
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈BrNO
Molecular Weight: 226.07
Synonyms: None
SMILES: C1CON=C1C2=CC=C(C=C2)Br
Tpsa: 21.59
Logp: 2.5735
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD26395060
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈BrNO
Molecular Weight:
226.07
Synonyms:
None
SMILES:
C1CON=C1C2=CC=C(C=C2)Br
Tpsa:
21.59
Logp:
2.5735
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD00136693
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₃
Molecular Weight: 250.29
Synonyms: None
SMILES: C1=CC=C(C=C1)C(=O)NCCCCC(C(=O)O)N
Tpsa: 92.42
Logp: 0.9986
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
MFCD00136693
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₃
Molecular Weight:
250.29
Synonyms:
None
SMILES:
C1=CC=C(C=C1)C(=O)NCCCCC(C(=O)O)N
Tpsa:
92.42
Logp:
0.9986
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
7