CS-0871591
1-(4-Nitro-1h-1,2,3-triazol-1-yl)propan-2-one
Manufacturer: ChemScene
CAS Number: 131394-16-6
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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
C₅H₆N₄O₃
Molecular Weight
170.13
Synonyms
None
SMILES
CC(=O)CN1C=C(N=N1)[N+](=O)[O-]
Tpsa
90.92
Logp
-0.2247
H Acceptors
6
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: C₅H₆N₄O₃
Molecular Weight: 170.13
Synonyms: None
SMILES: CC(=O)CN1C=C(N=N1)[N+](=O)[O-]
Tpsa: 90.92
Logp: -0.2247
H Acceptors: 6
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:
C₅H₆N₄O₃
Molecular Weight:
170.13
Synonyms:
None
SMILES:
CC(=O)CN1C=C(N=N1)[N+](=O)[O-]
Tpsa:
90.92
Logp:
-0.2247
H Acceptors:
6
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: C₁₁H₁₃F₂NO
Molecular Weight: 213.22
Synonyms: None
SMILES: CCN(CC)C(=O)C1=C(C=CC(=C1)F)F
Tpsa: 20.31
Logp: 2.4468
H Acceptors: 1
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:
C₁₁H₁₃F₂NO
Molecular Weight:
213.22
Synonyms:
None
SMILES:
CCN(CC)C(=O)C1=C(C=CC(=C1)F)F
Tpsa:
20.31
Logp:
2.4468
H Acceptors:
1
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: C₁₃H₉N
Molecular Weight: 179.22
Synonyms: None
SMILES: C1(C#CC2=CC=CC=C2)=NC=CC=C1
Tpsa: 12.89
Logp: 2.4814
H Acceptors: 1
H Donors: 0
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:
C₁₃H₉N
Molecular Weight:
179.22
Synonyms:
None
SMILES:
C1(C#CC2=CC=CC=C2)=NC=CC=C1
Tpsa:
12.89
Logp:
2.4814
H Acceptors:
1
H Donors:
0
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: C₁₂H₈S
Molecular Weight: 184.26
Synonyms: None
SMILES: C1=CC=C(C=C1)C#CC2=CSC=C2
Tpsa: 0
Logp: 3.1479
H Acceptors: 1
H Donors: 0
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:
C₁₂H₈S
Molecular Weight:
184.26
Synonyms:
None
SMILES:
C1=CC=C(C=C1)C#CC2=CSC=C2
Tpsa:
0
Logp:
3.1479
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0