CS-0557332
1-(2-Chlorobenzyl)-1H-1,2,3-triazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1267686-00-9
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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
C₁₀H₈ClN₃O₂
Molecular Weight
237.64
Synonyms
1-[(2-chlorophenyl)methyl]-1h-1,2,3-triazole-4-carboxylic acid
SMILES
C1=CC=C(C(=C1)CN2C=C(N=N2)C(=O)O)Cl
Tpsa
68.01
Logp
1.678
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: C₁₀H₈ClN₃O₂
Molecular Weight: 237.64
Synonyms: 1-[(2-chlorophenyl)methyl]-1h-1,2,3-triazole-4-carboxylic acid
SMILES: C1=CC=C(C(=C1)CN2C=C(N=N2)C(=O)O)Cl
Tpsa: 68.01
Logp: 1.678
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:
C₁₀H₈ClN₃O₂
Molecular Weight:
237.64
Synonyms:
1-[(2-chlorophenyl)methyl]-1h-1,2,3-triazole-4-carboxylic acid
SMILES:
C1=CC=C(C(=C1)CN2C=C(N=N2)C(=O)O)Cl
Tpsa:
68.01
Logp:
1.678
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: C₁₁H₁₁N₃O₄
Molecular Weight: 249.22
Synonyms: None
SMILES: COC1=CC(=C(C=C1)OC)N2C=C(N=N2)C(=O)O
Tpsa: 86.47
Logp: 0.9827
H Acceptors: 6
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:
C₁₁H₁₁N₃O₄
Molecular Weight:
249.22
Synonyms:
None
SMILES:
COC1=CC(=C(C=C1)OC)N2C=C(N=N2)C(=O)O
Tpsa:
86.47
Logp:
0.9827
H Acceptors:
6
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: C₁₄H₂₀BrNO₃
Molecular Weight: 330.22
Synonyms: None
SMILES: O=C(OC(C)(C)C)N[C@@H](CO)CC1=CC=C(Br)C=C1
Tpsa: 58.56
Logp: 2.8772
H Acceptors: 3
H Donors: 2
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:
C₁₄H₂₀BrNO₃
Molecular Weight:
330.22
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N[C@@H](CO)CC1=CC=C(Br)C=C1
Tpsa:
58.56
Logp:
2.8772
H Acceptors:
3
H Donors:
2
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: C₁₁H₁₄BrN₃
Molecular Weight: 268.15
Synonyms: 3-Bromo-7-isopropyl-2,5-dimethylpyrazolo-[1,5-a]pyrimidine
SMILES: CC1=NC2=C(C(=NN2C(=C1)C(C)C)C)Br
Tpsa: 30.19
Logp: 3.23204
H Acceptors: 3
H Donors: 0
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:
C₁₁H₁₄BrN₃
Molecular Weight:
268.15
Synonyms:
3-Bromo-7-isopropyl-2,5-dimethylpyrazolo-[1,5-a]pyrimidine
SMILES:
CC1=NC2=C(C(=NN2C(=C1)C(C)C)C)Br
Tpsa:
30.19
Logp:
3.23204
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1