CS-0728484
Methyl 4-(4-nitrophenyl)-3-oxobutanoate
Manufacturer: ChemScene
CAS Number: 1000571-72-1
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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
C₁₁H₁₁NO₅
Molecular Weight
237.21
Synonyms
None
SMILES
COC(=O)CC(=O)CC1=CC=C(C=C1)[N+]([O-])=O
Tpsa
86.51
Logp
1.2695
H Acceptors
5
H Donors
0
Rotatable Bonds
5
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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: C₁₁H₁₁NO₅
Molecular Weight: 237.21
Synonyms: None
SMILES: COC(=O)CC(=O)CC1=CC=C(C=C1)[N+]([O-])=O
Tpsa: 86.51
Logp: 1.2695
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁NO₅
Molecular Weight:
237.21
Synonyms:
None
SMILES:
COC(=O)CC(=O)CC1=CC=C(C=C1)[N+]([O-])=O
Tpsa:
86.51
Logp:
1.2695
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂N₂O₃S
Molecular Weight: 288.32
Synonyms: None
SMILES: CN1C(=O)N(C2=CC=CC=C2)C2=C(C=CC=C2)S1(=O)=O
Tpsa: 57.69
Logp: 2.5788
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:
C₁₄H₁₂N₂O₃S
Molecular Weight:
288.32
Synonyms:
None
SMILES:
CN1C(=O)N(C2=CC=CC=C2)C2=C(C=CC=C2)S1(=O)=O
Tpsa:
57.69
Logp:
2.5788
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: C₁₆H₉BrClNO₂S₂
Molecular Weight: 426.74
Synonyms: None
SMILES: ClC1=CC=C(SC2=NC(Br)=C(S2)C(=O)OC2=CC=CC=C2)C=C1
Tpsa: 39.19
Logp: 5.9294
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:
C₁₆H₉BrClNO₂S₂
Molecular Weight:
426.74
Synonyms:
None
SMILES:
ClC1=CC=C(SC2=NC(Br)=C(S2)C(=O)OC2=CC=CC=C2)C=C1
Tpsa:
39.19
Logp:
5.9294
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: C₁₂H₁₄N₄O
Molecular Weight: 230.27
Synonyms: None
SMILES: COC1=CC=CC(CC2=CN=C(N)N=C2N)=C1
Tpsa: 87.05
Logp: 1.2404
H Acceptors: 5
H Donors: 2
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:
C₁₂H₁₄N₄O
Molecular Weight:
230.27
Synonyms:
None
SMILES:
COC1=CC=CC(CC2=CN=C(N)N=C2N)=C1
Tpsa:
87.05
Logp:
1.2404
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3