CS-1058990
1-Acetyl-5-methyl-1H-1,2,4-triazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 88513-02-4
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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
C₆H₇N₃O₃
Molecular Weight
169.14
Synonyms
None
SMILES
O=C(O)C=1N=C(N(N1)C(=O)C)C
Tpsa
85.08
Logp
-0.05518
H Acceptors
5
H Donors
1
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: C₆H₇N₃O₃
Molecular Weight: 169.14
Synonyms: None
SMILES: O=C(O)C=1N=C(N(N1)C(=O)C)C
Tpsa: 85.08
Logp: -0.05518
H Acceptors: 5
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:
C₆H₇N₃O₃
Molecular Weight:
169.14
Synonyms:
None
SMILES:
O=C(O)C=1N=C(N(N1)C(=O)C)C
Tpsa:
85.08
Logp:
-0.05518
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉FN₄
Molecular Weight: 204.20
Synonyms: None
SMILES: FC=1C=CC=CC1C2=NNC(=NN)C=C2
Tpsa: 67.06
Logp: 0.9902
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉FN₄
Molecular Weight:
204.20
Synonyms:
None
SMILES:
FC=1C=CC=CC1C2=NNC(=NN)C=C2
Tpsa:
67.06
Logp:
0.9902
H Acceptors:
3
H Donors:
2
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: C₁₃H₂₄BrNO₂
Molecular Weight: 306.24
Synonyms: None
SMILES: O=C(OC(C)(CBr)C(C)C)NC1CCCCC1
Tpsa: 38.33
Logp: 3.8549
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₄BrNO₂
Molecular Weight:
306.24
Synonyms:
None
SMILES:
O=C(OC(C)(CBr)C(C)C)NC1CCCCC1
Tpsa:
38.33
Logp:
3.8549
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₂BrNO₂
Molecular Weight: 292.21
Synonyms: None
SMILES: O=C(OC(C)(CBr)CC)NC1CCCCC1
Tpsa: 38.33
Logp: 3.6089
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₂BrNO₂
Molecular Weight:
292.21
Synonyms:
None
SMILES:
O=C(OC(C)(CBr)CC)NC1CCCCC1
Tpsa:
38.33
Logp:
3.6089
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4