CS-0546448
2-Benzyl-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Manufacturer: ChemScene
CAS Number: 861206-20-4
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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
C₁₆H₁₃F₂N₃O
Molecular Weight
301.29
Synonyms
1-benzyl-4-(2,6-difluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES
CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)CC3=CC=CC=C3
Tpsa
39.82
Logp
2.66892
H Acceptors
4
H Donors
0
Rotatable Bonds
3
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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: C₁₆H₁₃F₂N₃O
Molecular Weight: 301.29
Synonyms: 1-benzyl-4-(2,6-difluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES: CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)CC3=CC=CC=C3
Tpsa: 39.82
Logp: 2.66892
H Acceptors: 4
H Donors: 0
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:
C₁₆H₁₃F₂N₃O
Molecular Weight:
301.29
Synonyms:
1-benzyl-4-(2,6-difluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES:
CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)CC3=CC=CC=C3
Tpsa:
39.82
Logp:
2.66892
H Acceptors:
4
H Donors:
0
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: C₁₃H₈N₂O₃
Molecular Weight: 240.21
Synonyms: None
SMILES: C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)NC=C3)C#N
Tpsa: 75.11
Logp: 1.64228
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:
C₁₃H₈N₂O₃
Molecular Weight:
240.21
Synonyms:
None
SMILES:
C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)NC=C3)C#N
Tpsa:
75.11
Logp:
1.64228
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: C₇H₆F₃NO₄S
Molecular Weight: 257.19
Synonyms: None
SMILES: COC1(NC(=O)/C(=C/C(=O)O)/S1)C(F)(F)F
Tpsa: 75.63
Logp: 0.6804
H Acceptors: 4
H Donors: 2
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:
C₇H₆F₃NO₄S
Molecular Weight:
257.19
Synonyms:
None
SMILES:
COC1(NC(=O)/C(=C/C(=O)O)/S1)C(F)(F)F
Tpsa:
75.63
Logp:
0.6804
H Acceptors:
4
H Donors:
2
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: C₁₃H₁₃ClN₂O₂
Molecular Weight: 264.71
Synonyms: 4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl
Tpsa: 44
Logp: 1.90592
H Acceptors: 4
H Donors: 0
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:
C₁₃H₁₃ClN₂O₂
Molecular Weight:
264.71
Synonyms:
4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one
SMILES:
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl
Tpsa:
44
Logp:
1.90592
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3