CS-0888033
3-Bromo-5-methoxy-1-(4-methoxybenzyl)-1H-1,2,4-triazole
Manufacturer: ChemScene
CAS Number: 2795110-44-8
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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
C₁₁H₁₂BrN₃O₂
Molecular Weight
298.14
Synonyms
None
SMILES
COC1=CC=C(CN2N=C(Br)N=C2OC)C=C1
Tpsa
49.17
Logp
2.1061
H Acceptors
5
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: C₁₁H₁₂BrN₃O₂
Molecular Weight: 298.14
Synonyms: None
SMILES: COC1=CC=C(CN2N=C(Br)N=C2OC)C=C1
Tpsa: 49.17
Logp: 2.1061
H Acceptors: 5
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:
C₁₁H₁₂BrN₃O₂
Molecular Weight:
298.14
Synonyms:
None
SMILES:
COC1=CC=C(CN2N=C(Br)N=C2OC)C=C1
Tpsa:
49.17
Logp:
2.1061
H Acceptors:
5
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: C₁₀H₁₅NO₅
Molecular Weight: 229.23
Synonyms: None
SMILES: O=C(C1N(C(C)=O)[C@@]2([H])[C@@](COCC2)([H])OC1)O
Tpsa: 76.07
Logp: -0.5242
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:
C₁₀H₁₅NO₅
Molecular Weight:
229.23
Synonyms:
None
SMILES:
O=C(C1N(C(C)=O)[C@@]2([H])[C@@](COCC2)([H])OC1)O
Tpsa:
76.07
Logp:
-0.5242
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: C₈H₈Cl₂N₂
Molecular Weight: 203.07
Synonyms: 4-Aminomethyl-3-chloro-benzonitrile (hydrochloride)
SMILES: N#CC1=CC=C(CN)C(Cl)=C1.Cl
Tpsa: 49.81
Logp: 2.09218
H Acceptors: 2
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:
C₈H₈Cl₂N₂
Molecular Weight:
203.07
Synonyms:
4-Aminomethyl-3-chloro-benzonitrile (hydrochloride)
SMILES:
N#CC1=CC=C(CN)C(Cl)=C1.Cl
Tpsa:
49.81
Logp:
2.09218
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆F₂N₂
Molecular Weight: 168.14
Synonyms: None
SMILES: N#CC1=CC=C(CN)C(F)=C1F
Tpsa: 49.81
Logp: 1.29518
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆F₂N₂
Molecular Weight:
168.14
Synonyms:
None
SMILES:
N#CC1=CC=C(CN)C(F)=C1F
Tpsa:
49.81
Logp:
1.29518
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1