CS-0766533
4-((1-cyclopropyl-1,3-dioxobutan-2-yl)oxy)-2,6-dimethylbenzonitrile
Manufacturer: ChemScene
CAS Number: 913346-12-0
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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
C₁₆H₁₇NO₃
Molecular Weight
271.31
Synonyms
None
SMILES
N#CC1=C(C)C=C(OC(C(C2CC2)=O)C(C)=O)C=C1C
Tpsa
67.16
Logp
2.49062
H Acceptors
4
H Donors
0
Rotatable Bonds
5
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: C₁₆H₁₇NO₃
Molecular Weight: 271.31
Synonyms: None
SMILES: N#CC1=C(C)C=C(OC(C(C2CC2)=O)C(C)=O)C=C1C
Tpsa: 67.16
Logp: 2.49062
H Acceptors: 4
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:
C₁₆H₁₇NO₃
Molecular Weight:
271.31
Synonyms:
None
SMILES:
N#CC1=C(C)C=C(OC(C(C2CC2)=O)C(C)=O)C=C1C
Tpsa:
67.16
Logp:
2.49062
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄BrN₃O₄
Molecular Weight: 262.02
Synonyms: None
SMILES: CC1=C(Br)C=NC(=C1[N+]([O-])=O)[N+]([O-])=O
Tpsa: 99.17
Logp: 1.96892
H Acceptors: 5
H Donors: 0
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:
C₆H₄BrN₃O₄
Molecular Weight:
262.02
Synonyms:
None
SMILES:
CC1=C(Br)C=NC(=C1[N+]([O-])=O)[N+]([O-])=O
Tpsa:
99.17
Logp:
1.96892
H Acceptors:
5
H Donors:
0
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: C₁₁H₅Cl₂F₃N₂O
Molecular Weight: 309.07
Synonyms: None
SMILES: FC(F)(F)C1=C(C=CC=C1)N1N=CC(Cl)=C(Cl)C1=O
Tpsa: 34.89
Logp: 3.5581
H Acceptors: 3
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:
C₁₁H₅Cl₂F₃N₂O
Molecular Weight:
309.07
Synonyms:
None
SMILES:
FC(F)(F)C1=C(C=CC=C1)N1N=CC(Cl)=C(Cl)C1=O
Tpsa:
34.89
Logp:
3.5581
H Acceptors:
3
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: C₈H₁₃F₂N
Molecular Weight: 161.19
Synonyms: None
SMILES: NC12CCC(CC1)(C2)C(F)F
Tpsa: 26.02
Logp: 1.9131
H Acceptors: 1
H Donors: 1
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:
C₈H₁₃F₂N
Molecular Weight:
161.19
Synonyms:
None
SMILES:
NC12CCC(CC1)(C2)C(F)F
Tpsa:
26.02
Logp:
1.9131
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1