CS-1142984
5-(3-Cyanophenyl)-4H-1,2,4-triazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 944906-65-4
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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
C₁₀H₆N₄O₂
Molecular Weight
214.18
Synonyms
None
SMILES
N#CC1=CC=CC(=C1)C2=NN=C(N2)C(=O)O
Tpsa
102.66
Logp
1.04158
H Acceptors
4
H Donors
2
Rotatable Bonds
2
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: C₁₀H₆N₄O₂
Molecular Weight: 214.18
Synonyms: None
SMILES: N#CC1=CC=CC(=C1)C2=NN=C(N2)C(=O)O
Tpsa: 102.66
Logp: 1.04158
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:
C₁₀H₆N₄O₂
Molecular Weight:
214.18
Synonyms:
None
SMILES:
N#CC1=CC=CC(=C1)C2=NN=C(N2)C(=O)O
Tpsa:
102.66
Logp:
1.04158
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂FNO₂
Molecular Weight: 245.25
Synonyms: None
SMILES: O=C(NC1=CC=C(O)C=C1C)C=2C=CC=CC2F
Tpsa: 49.33
Logp: 3.09202
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₂FNO₂
Molecular Weight:
245.25
Synonyms:
None
SMILES:
O=C(NC1=CC=C(O)C=C1C)C=2C=CC=CC2F
Tpsa:
49.33
Logp:
3.09202
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂ClN₅
Molecular Weight: 225.68
Synonyms: None
SMILES: ClC=1N=C(NCCC)C=2C=NN(C2N1)C
Tpsa: 55.63
Logp: 1.8386
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂ClN₅
Molecular Weight:
225.68
Synonyms:
None
SMILES:
ClC=1N=C(NCCC)C=2C=NN(C2N1)C
Tpsa:
55.63
Logp:
1.8386
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂ClF₃N₂O₂S
Molecular Weight: 304.71
Synonyms: None
SMILES: O=C(O)C=1SC(Cl)=NC1C(F)(F)F.N(CC)CC
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂ClF₃N₂O₂S
Molecular Weight:
304.71
Synonyms:
None
SMILES:
O=C(O)C=1SC(Cl)=NC1C(F)(F)F.N(CC)CC
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A