CS-0745539
1-[4-Bromo-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Manufacturer: ChemScene
CAS Number: 231955-60-5
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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
C₁₂H₈BrF₃N₂O
Molecular Weight
333.10
Synonyms
None
SMILES
CC(=O)N1N=C(C(Br)=C1C1=CC=CC=C1)C(F)(F)F
Tpsa
34.89
Logp
3.9915
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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: C₁₂H₈BrF₃N₂O
Molecular Weight: 333.10
Synonyms: None
SMILES: CC(=O)N1N=C(C(Br)=C1C1=CC=CC=C1)C(F)(F)F
Tpsa: 34.89
Logp: 3.9915
H Acceptors: 3
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:
C₁₂H₈BrF₃N₂O
Molecular Weight:
333.10
Synonyms:
None
SMILES:
CC(=O)N1N=C(C(Br)=C1C1=CC=CC=C1)C(F)(F)F
Tpsa:
34.89
Logp:
3.9915
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD30541166
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆ClN₃
Molecular Weight: 237.73
Synonyms: None
SMILES: Cl.C1CN(CCN1)C1=CC=C2NC=CC2=C1
Tpsa: 31.06
Logp: 1.9993
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD30541166
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆ClN₃
Molecular Weight:
237.73
Synonyms:
None
SMILES:
Cl.C1CN(CCN1)C1=CC=C2NC=CC2=C1
Tpsa:
31.06
Logp:
1.9993
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD06368068
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄O₄
Molecular Weight: 222.24
Synonyms: None
SMILES: CCOC(=O)C1=CC=C(OCC2CO2)C=C1
Tpsa: 48.06
Logp: 1.6409
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD06368068
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄O₄
Molecular Weight:
222.24
Synonyms:
None
SMILES:
CCOC(=O)C1=CC=C(OCC2CO2)C=C1
Tpsa:
48.06
Logp:
1.6409
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂O₃
Molecular Weight: 204.22
Synonyms: None
SMILES: CCOC(=O)C1=CC2=CC(C)=CC=C2O1
Tpsa: 39.44
Logp: 2.91792
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂O₃
Molecular Weight:
204.22
Synonyms:
None
SMILES:
CCOC(=O)C1=CC2=CC(C)=CC=C2O1
Tpsa:
39.44
Logp:
2.91792
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2