CS-0338105
1-(2-Methylbenzyl)-1H-1,2,3-triazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1267197-12-5
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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
1-[(2-methylphenyl)methyl]-1h-1,2,3-triazole-4-carboxylic acid
SMILES
O=C(O)C(N=N1)=CN1CC(C=CC=C2)=C2C
Tpsa
68.01
Logp
1.33302
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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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: 1-[(2-methylphenyl)methyl]-1h-1,2,3-triazole-4-carboxylic acid
SMILES: O=C(O)C(N=N1)=CN1CC(C=CC=C2)=C2C
Tpsa: 68.01
Logp: 1.33302
H Acceptors: 4
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:
C₁₁H₁₁N₃O₂
Molecular Weight:
217.22
Synonyms:
1-[(2-methylphenyl)methyl]-1h-1,2,3-triazole-4-carboxylic acid
SMILES:
O=C(O)C(N=N1)=CN1CC(C=CC=C2)=C2C
Tpsa:
68.01
Logp:
1.33302
H Acceptors:
4
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: C₁₂H₁₃N₃O₃
Molecular Weight: 247.25
Synonyms: None
SMILES: O=C(C1=C(C)N(CC2=CC=CC(OC)=C2)N=N1)O
Tpsa: 77.24
Logp: 1.34162
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃N₃O₃
Molecular Weight:
247.25
Synonyms:
None
SMILES:
O=C(C1=C(C)N(CC2=CC=CC(OC)=C2)N=N1)O
Tpsa:
77.24
Logp:
1.34162
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅ClN₂O
Molecular Weight: 238.71
Synonyms: None
SMILES: O=C1NC2=C(C=CC(C)=C2)C=C1CCN.[H]Cl
Tpsa: 58.88
Logp: 1.75952
H Acceptors: 2
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:
C₁₂H₁₅ClN₂O
Molecular Weight:
238.71
Synonyms:
None
SMILES:
O=C1NC2=C(C=CC(C)=C2)C=C1CCN.[H]Cl
Tpsa:
58.88
Logp:
1.75952
H Acceptors:
2
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: C₅H₆ClIN₂O
Molecular Weight: 272.47
Synonyms: None
SMILES: C1=C(C(=N)N)OC(=C1)I.Cl
Tpsa: 63.01
Logp: 1.59007
H Acceptors: 2
H Donors: 2
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:
C₅H₆ClIN₂O
Molecular Weight:
272.47
Synonyms:
None
SMILES:
C1=C(C(=N)N)OC(=C1)I.Cl
Tpsa:
63.01
Logp:
1.59007
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1