CS-1013507
3-Cyano-1-methyl-1H-1,2,4-triazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2090779-87-4
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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
C₅H₄N₄O₂
Molecular Weight
152.11
Synonyms
None
SMILES
O=C(C1=NC(C#N)=NN1C)O
Tpsa
91.8
Logp
-0.61502
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: C₅H₄N₄O₂
Molecular Weight: 152.11
Synonyms: None
SMILES: O=C(C1=NC(C#N)=NN1C)O
Tpsa: 91.8
Logp: -0.61502
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:
C₅H₄N₄O₂
Molecular Weight:
152.11
Synonyms:
None
SMILES:
O=C(C1=NC(C#N)=NN1C)O
Tpsa:
91.8
Logp:
-0.61502
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: C₅H₃N₃O
Molecular Weight: 121.10
Synonyms: None
SMILES: N#CC1=NNC=C1C=O
Tpsa: 69.54
Logp: 0.09388
H Acceptors: 3
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:
C₅H₃N₃O
Molecular Weight:
121.10
Synonyms:
None
SMILES:
N#CC1=NNC=C1C=O
Tpsa:
69.54
Logp:
0.09388
H Acceptors:
3
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: C₇H₃FN₂O
Molecular Weight: 150.11
Synonyms: None
SMILES: N#CC1=NC(C=O)=CC=C1F
Tpsa: 53.75
Logp: 0.90488
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:
C₇H₃FN₂O
Molecular Weight:
150.11
Synonyms:
None
SMILES:
N#CC1=NC(C=O)=CC=C1F
Tpsa:
53.75
Logp:
0.90488
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: C₇H₃BrN₂O
Molecular Weight: 211.02
Synonyms: None
SMILES: N#CC1=NC(C=O)=CC=C1Br
Tpsa: 53.75
Logp: 1.52828
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:
C₇H₃BrN₂O
Molecular Weight:
211.02
Synonyms:
None
SMILES:
N#CC1=NC(C=O)=CC=C1Br
Tpsa:
53.75
Logp:
1.52828
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1