CS-0886162
1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 1504582-38-0
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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
C₅H₆BrN₃O
Molecular Weight
204.02
Synonyms
None
SMILES
CC(C1=NC(Br)=NN1C)=O
Tpsa
47.78
Logp
0.7802
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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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: C₅H₆BrN₃O
Molecular Weight: 204.02
Synonyms: None
SMILES: CC(C1=NC(Br)=NN1C)=O
Tpsa: 47.78
Logp: 0.7802
H Acceptors: 4
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:
C₅H₆BrN₃O
Molecular Weight:
204.02
Synonyms:
None
SMILES:
CC(C1=NC(Br)=NN1C)=O
Tpsa:
47.78
Logp:
0.7802
H Acceptors:
4
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: C₆H₄BrN₃O
Molecular Weight: 214.02
Synonyms: None
SMILES: O=C1C2=C(Br)N=CN2C=CN1
Tpsa: 50.16
Logp: 0.7851
H Acceptors: 3
H Donors: 1
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:
C₆H₄BrN₃O
Molecular Weight:
214.02
Synonyms:
None
SMILES:
O=C1C2=C(Br)N=CN2C=CN1
Tpsa:
50.16
Logp:
0.7851
H Acceptors:
3
H Donors:
1
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: C₁₄H₂₀F₃N₃O₅S
Molecular Weight: 399.39
Synonyms: None
SMILES: O=C(N1CCC2=C(OS(=O)(C(F)(F)F)=O)N(C)N=C2C1C)OC(C)(C)C
Tpsa: 90.73
Logp: 2.5027
H Acceptors: 7
H Donors: 0
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:
C₁₄H₂₀F₃N₃O₅S
Molecular Weight:
399.39
Synonyms:
None
SMILES:
O=C(N1CCC2=C(OS(=O)(C(F)(F)F)=O)N(C)N=C2C1C)OC(C)(C)C
Tpsa:
90.73
Logp:
2.5027
H Acceptors:
7
H Donors:
0
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: C₁₂H₁₅FN₂O₃
Molecular Weight: 254.26
Synonyms: None
SMILES: O=C(NC1=CC=C(F)C(C(C)=O)=N1)OC(C)(C)C
Tpsa: 68.29
Logp: 2.7703
H Acceptors: 4
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:
C₁₂H₁₅FN₂O₃
Molecular Weight:
254.26
Synonyms:
None
SMILES:
O=C(NC1=CC=C(F)C(C(C)=O)=N1)OC(C)(C)C
Tpsa:
68.29
Logp:
2.7703
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2