CS-0347246
Methyl 4-((3-cyano-1h-1,2,4-triazol-1-yl)methyl)benzoate
Manufacturer: ChemScene
CAS Number: 1252436-78-4
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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
C₁₂H₁₀N₄O₂
Molecular Weight
242.23
Synonyms
Benzoic acid, 4-[(3-cyano-1H-1,2,4-triazol-1-yl)methyl]-, methyl ester
SMILES
O=C(OC)C1=CC=C(CN2N=C(C#N)N=C2)C=C1
Tpsa
80.8
Logp
0.98468
H Acceptors
6
H Donors
0
Rotatable Bonds
3
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: C₁₂H₁₀N₄O₂
Molecular Weight: 242.23
Synonyms: Benzoic acid, 4-[(3-cyano-1H-1,2,4-triazol-1-yl)methyl]-, methyl ester
SMILES: O=C(OC)C1=CC=C(CN2N=C(C#N)N=C2)C=C1
Tpsa: 80.8
Logp: 0.98468
H Acceptors: 6
H Donors: 0
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:
C₁₂H₁₀N₄O₂
Molecular Weight:
242.23
Synonyms:
Benzoic acid, 4-[(3-cyano-1H-1,2,4-triazol-1-yl)methyl]-, methyl ester
SMILES:
O=C(OC)C1=CC=C(CN2N=C(C#N)N=C2)C=C1
Tpsa:
80.8
Logp:
0.98468
H Acceptors:
6
H Donors:
0
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: C₁₂H₁₃N₃O₂
Molecular Weight: 231.25
Synonyms: Benzoic acid, 4-[(4-amino-1H-pyrazol-1-yl)methyl]-, methyl ester
SMILES: O=C(OC)C1=CC=C(CN2N=CC(N)=C2)C=C1
Tpsa: 70.14
Logp: 1.3002
H Acceptors: 5
H Donors: 1
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:
C₁₂H₁₃N₃O₂
Molecular Weight:
231.25
Synonyms:
Benzoic acid, 4-[(4-amino-1H-pyrazol-1-yl)methyl]-, methyl ester
SMILES:
O=C(OC)C1=CC=C(CN2N=CC(N)=C2)C=C1
Tpsa:
70.14
Logp:
1.3002
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: C₁₁H₁₃NO₃
Molecular Weight: 207.23
Synonyms: None
SMILES: O=C(OC)C1=CC=C(CNC(C)=O)C=C1
Tpsa: 55.4
Logp: 1.1093
H Acceptors: 3
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:
C₁₁H₁₃NO₃
Molecular Weight:
207.23
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C(CNC(C)=O)C=C1
Tpsa:
55.4
Logp:
1.1093
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₉NO₃
Molecular Weight: 237.29
Synonyms: Benzoic acid, 4-[[(2-methoxy-1-methylethyl)amino]methyl]-, methyl ester
SMILES: O=C(OC)C1=CC=C(CNC(C)COC)C=C1
Tpsa: 47.56
Logp: 1.5977
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉NO₃
Molecular Weight:
237.29
Synonyms:
Benzoic acid, 4-[[(2-methoxy-1-methylethyl)amino]methyl]-, methyl ester
SMILES:
O=C(OC)C1=CC=C(CNC(C)COC)C=C1
Tpsa:
47.56
Logp:
1.5977
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6