CS-0647380
4-Iodo-3-((4-methoxybenzyl)oxy)-1-methyl-1H-pyrazole
Manufacturer: ChemScene
CAS Number: 2127110-78-3
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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
C₁₂H₁₃IN₂O₂
Molecular Weight
344.15
Synonyms
None
SMILES
CN1N=C(OCC2=CC=C(OC)C=C2)C(I)=C1
Tpsa
36.28
Logp
2.6123
H Acceptors
4
H Donors
0
Rotatable Bonds
4
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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: C₁₂H₁₃IN₂O₂
Molecular Weight: 344.15
Synonyms: None
SMILES: CN1N=C(OCC2=CC=C(OC)C=C2)C(I)=C1
Tpsa: 36.28
Logp: 2.6123
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₃IN₂O₂
Molecular Weight:
344.15
Synonyms:
None
SMILES:
CN1N=C(OCC2=CC=C(OC)C=C2)C(I)=C1
Tpsa:
36.28
Logp:
2.6123
H Acceptors:
4
H Donors:
0
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: C₁₀H₁₈N₃O₁₄P₃
Molecular Weight: 497.18
Synonyms: None
SMILES: O[C@H]1[C@H](N2C(N=C(C=C2)N)=O)O[C@@H]([C@H]1OC)COP(OP(OP(O)(O)=O)(O)=O)(O)=O
Tpsa: 259.42
Logp: -1.5579
H Acceptors: 13
H Donors: 6
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₈N₃O₁₄P₃
Molecular Weight:
497.18
Synonyms:
None
SMILES:
O[C@H]1[C@H](N2C(N=C(C=C2)N)=O)O[C@@H]([C@H]1OC)COP(OP(OP(O)(O)=O)(O)=O)(O)=O
Tpsa:
259.42
Logp:
-1.5579
H Acceptors:
13
H Donors:
6
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₅₄N₄O₁₂
Molecular Weight: 614.73
Synonyms: None
SMILES: [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
Tpsa: 185.54
Logp: 0.4546
H Acceptors: 14
H Donors: 1
Rotatable Bonds: 38
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₅₄N₄O₁₂
Molecular Weight:
614.73
Synonyms:
None
SMILES:
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
Tpsa:
185.54
Logp:
0.4546
H Acceptors:
14
H Donors:
1
Rotatable Bonds:
38
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₄ClF₃N₂
Molecular Weight: 220.58
Synonyms: None
SMILES: N#CC1=CC(C(F)(F)F)=CC(Cl)=C1N
Tpsa: 49.81
Logp: 2.81268
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₄ClF₃N₂
Molecular Weight:
220.58
Synonyms:
None
SMILES:
N#CC1=CC(C(F)(F)F)=CC(Cl)=C1N
Tpsa:
49.81
Logp:
2.81268
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0