CS-0767969
4-Bromo-1-Methyl-5-nitro-1H-imidazole-2-carbonitrile
Manufacturer: ChemScene
CAS Number: 162759-92-4
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₅H₃BrN₄O₂
Molecular Weight
231.01
Synonyms
None
SMILES
CN1C(=NC(Br)=C1[N+]([O-])=O)C#N
Tpsa
84.75
Logp
0.96248
H Acceptors
5
H Donors
0
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501
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Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₃BrN₄O₂
Molecular Weight: 231.01
Synonyms: None
SMILES: CN1C(=NC(Br)=C1[N+]([O-])=O)C#N
Tpsa: 84.75
Logp: 0.96248
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₃BrN₄O₂
Molecular Weight:
231.01
Synonyms:
None
SMILES:
CN1C(=NC(Br)=C1[N+]([O-])=O)C#N
Tpsa:
84.75
Logp:
0.96248
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀Br₂O
Molecular Weight: 293.98
Synonyms: None
SMILES: COC1=C(CCBr)C=C(Br)C=C1
Tpsa: 9.23
Logp: 3.3951
H Acceptors: 1
H Donors: 0
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:
C₉H₁₀Br₂O
Molecular Weight:
293.98
Synonyms:
None
SMILES:
COC1=C(CCBr)C=C(Br)C=C1
Tpsa:
9.23
Logp:
3.3951
H Acceptors:
1
H Donors:
0
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: C₇H₈BrNO₂
Molecular Weight: 218.05
Synonyms: None
SMILES: CC1=C(Br)C(C(O)=O)=C(C)N1
Tpsa: 53.09
Logp: 2.09224
H Acceptors: 1
H Donors: 2
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈BrNO₂
Molecular Weight:
218.05
Synonyms:
None
SMILES:
CC1=C(Br)C(C(O)=O)=C(C)N1
Tpsa:
53.09
Logp:
2.09224
H Acceptors:
1
H Donors:
2
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀N₂O
Molecular Weight: 210.23
Synonyms: None
SMILES: OCC1=CC=C(N=C1)C1=C(C=CC=C1)C#N
Tpsa: 56.91
Logp: 2.11258
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₀N₂O
Molecular Weight:
210.23
Synonyms:
None
SMILES:
OCC1=CC=C(N=C1)C1=C(C=CC=C1)C#N
Tpsa:
56.91
Logp:
2.11258
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2