CS-0909086
Methyl 3-methyl-4-(1H-1,2,4-triazol-1-yl)benzoate
Manufacturer: ChemScene
CAS Number: 167626-45-1
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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
C₁₁H₁₁N₃O₂
Molecular Weight
217.22
Synonyms
None
SMILES
O=C(C1=CC=C(N2N=CN=C2)C(C)=C1)OC
Tpsa
57.01
Logp
1.36232
H Acceptors
5
H Donors
0
Rotatable Bonds
2
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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: C₁₁H₁₁N₃O₂
Molecular Weight: 217.22
Synonyms: None
SMILES: O=C(C1=CC=C(N2N=CN=C2)C(C)=C1)OC
Tpsa: 57.01
Logp: 1.36232
H Acceptors: 5
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:
C₁₁H₁₁N₃O₂
Molecular Weight:
217.22
Synonyms:
None
SMILES:
O=C(C1=CC=C(N2N=CN=C2)C(C)=C1)OC
Tpsa:
57.01
Logp:
1.36232
H Acceptors:
5
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: C₁₀H₇BrFNO₂
Molecular Weight: 272.07
Synonyms: None
SMILES: O=C(OC)C1=CC(F)=CC(C#N)=C1CBr
Tpsa: 50.09
Logp: 2.37888
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:
C₁₀H₇BrFNO₂
Molecular Weight:
272.07
Synonyms:
None
SMILES:
O=C(OC)C1=CC(F)=CC(C#N)=C1CBr
Tpsa:
50.09
Logp:
2.37888
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: C₁₄H₁₀FN₃O₃
Molecular Weight: 287.25
Synonyms: None
SMILES: N#CC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2)=O)C=C1F
Tpsa: 90.27
Logp: 0.45838
H Acceptors: 4
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:
C₁₄H₁₀FN₃O₃
Molecular Weight:
287.25
Synonyms:
None
SMILES:
N#CC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2)=O)C=C1F
Tpsa:
90.27
Logp:
0.45838
H Acceptors:
4
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: C₁₄H₁₄FN₃O₃
Molecular Weight: 291.28
Synonyms: None
SMILES: O=C(C(N(CC1=C2C(F)=CC(CN)=C1)C2=O)CC3)NC3=O
Tpsa: 92.5
Logp: 0.0454
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:
C₁₄H₁₄FN₃O₃
Molecular Weight:
291.28
Synonyms:
None
SMILES:
O=C(C(N(CC1=C2C(F)=CC(CN)=C1)C2=O)CC3)NC3=O
Tpsa:
92.5
Logp:
0.0454
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2