CS-0334906
4-(5-Chloro-1H-1,2,4-triazol-3-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1219558-43-6
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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
C₉H₆ClN₃O₂
Molecular Weight
223.62
Synonyms
None
SMILES
C1=C(C=CC(=C1)C(=O)O)C2=NNC(=N2)Cl
Tpsa
78.87
Logp
1.8233
H Acceptors
3
H Donors
2
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1219558-43-6 | 4-(3-chloro-1H-1,2,4-triazol-5-yl)benzoic acid | A2B Chem | -- |
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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: C₉H₆ClN₃O₂
Molecular Weight: 223.62
Synonyms: None
SMILES: C1=C(C=CC(=C1)C(=O)O)C2=NNC(=N2)Cl
Tpsa: 78.87
Logp: 1.8233
H Acceptors: 3
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:
C₉H₆ClN₃O₂
Molecular Weight:
223.62
Synonyms:
None
SMILES:
C1=C(C=CC(=C1)C(=O)O)C2=NNC(=N2)Cl
Tpsa:
78.87
Logp:
1.8233
H Acceptors:
3
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: C₁₁H₁₅NO₄S
Molecular Weight: 257.31
Synonyms: methyl 2-(N-benzylmethylsulfonamido)acetate
SMILES: COC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C
Tpsa: 63.68
Logp: 0.6212
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅NO₄S
Molecular Weight:
257.31
Synonyms:
methyl 2-(N-benzylmethylsulfonamido)acetate
SMILES:
COC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C
Tpsa:
63.68
Logp:
0.6212
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂N₂O₃
Molecular Weight: 196.20
Synonyms: None
SMILES: CC(C)C1=NC(=C(CC(=O)O)C=N1)O
Tpsa: 83.31
Logp: 0.9327
H Acceptors: 4
H Donors: 2
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:
C₉H₁₂N₂O₃
Molecular Weight:
196.20
Synonyms:
None
SMILES:
CC(C)C1=NC(=C(CC(=O)O)C=N1)O
Tpsa:
83.31
Logp:
0.9327
H Acceptors:
4
H Donors:
2
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: C₆H₅BrCl₂N₂O
Molecular Weight: 271.93
Synonyms: None
SMILES: CC(=O)CN1C(=C(Cl)N=C1Br)Cl
Tpsa: 34.89
Logp: 2.5414
H Acceptors: 3
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:
C₆H₅BrCl₂N₂O
Molecular Weight:
271.93
Synonyms:
None
SMILES:
CC(=O)CN1C(=C(Cl)N=C1Br)Cl
Tpsa:
34.89
Logp:
2.5414
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2