CS-0751367
Methyl 4-(2-(tert-butoxy)-1-cyano-2-oxoethyl)-3-nitrobenzoate
Manufacturer: ChemScene
CAS Number: 1429329-45-2
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Purity
96%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₅H₁₆N₂O₆
Molecular Weight
320.30
Synonyms
None
SMILES
COC(=O)C1=CC(=C(C=C1)C(C#N)C(=O)OC(C)(C)C)[N+]([O-])=O
Tpsa
119.53
Logp
2.33028
H Acceptors
7
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1429329-45-2 | methyl 4-(2-(tert-butoxy)-1-cyano-2-oxoethyl)-3-nitrobenzoate | A2B Chem | -- |
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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: 96%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₆N₂O₆
Molecular Weight: 320.30
Synonyms: None
SMILES: COC(=O)C1=CC(=C(C=C1)C(C#N)C(=O)OC(C)(C)C)[N+]([O-])=O
Tpsa: 119.53
Logp: 2.33028
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 4
Purity:
96%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₆N₂O₆
Molecular Weight:
320.30
Synonyms:
None
SMILES:
COC(=O)C1=CC(=C(C=C1)C(C#N)C(=O)OC(C)(C)C)[N+]([O-])=O
Tpsa:
119.53
Logp:
2.33028
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₇IN₄
Molecular Weight: 380.23
Synonyms: None
SMILES: CC(C)(C)N1N=C(CC2=CC(I)=CC=C2)C(C#N)=C1N
Tpsa: 67.63
Logp: 3.28738
H Acceptors: 4
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:
C₁₅H₁₇IN₄
Molecular Weight:
380.23
Synonyms:
None
SMILES:
CC(C)(C)N1N=C(CC2=CC(I)=CC=C2)C(C#N)=C1N
Tpsa:
67.63
Logp:
3.28738
H Acceptors:
4
H Donors:
1
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: C₁₈H₂₈N₂O₂S
Molecular Weight: 336.49
Synonyms: None
SMILES: CSC1=CC=C(NC2(C)CCN(CC2)C(=O)OC(C)(C)C)C=C1
Tpsa: 41.57
Logp: 4.61
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:
C₁₈H₂₈N₂O₂S
Molecular Weight:
336.49
Synonyms:
None
SMILES:
CSC1=CC=C(NC2(C)CCN(CC2)C(=O)OC(C)(C)C)C=C1
Tpsa:
41.57
Logp:
4.61
H Acceptors:
4
H Donors:
1
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: C₁₁H₈N₂O₃
Molecular Weight: 216.19
Synonyms: None
SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CN1
Tpsa: 76
Logp: 2.1539
H Acceptors: 3
H Donors: 1
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:
C₁₁H₈N₂O₃
Molecular Weight:
216.19
Synonyms:
None
SMILES:
[O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CN1
Tpsa:
76
Logp:
2.1539
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3