CS-0886908
5-Acetyl-6-chloronicotinonitrile
Manufacturer: ChemScene
CAS Number: 1256821-55-2
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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
C₈H₅ClN₂O
Molecular Weight
180.59
Synonyms
None
SMILES
N#CC1=CC(C(C)=O)=C(Cl)N=C1
Tpsa
53.75
Logp
1.80928
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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: C₈H₅ClN₂O
Molecular Weight: 180.59
Synonyms: None
SMILES: N#CC1=CC(C(C)=O)=C(Cl)N=C1
Tpsa: 53.75
Logp: 1.80928
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:
C₈H₅ClN₂O
Molecular Weight:
180.59
Synonyms:
None
SMILES:
N#CC1=CC(C(C)=O)=C(Cl)N=C1
Tpsa:
53.75
Logp:
1.80928
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: C₆H₄N₂O₂
Molecular Weight: 136.11
Synonyms: None
SMILES: N#CC1=NOC(C(C)=O)=C1
Tpsa: 66.89
Logp: 0.74888
H Acceptors: 4
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:
C₆H₄N₂O₂
Molecular Weight:
136.11
Synonyms:
None
SMILES:
N#CC1=NOC(C(C)=O)=C1
Tpsa:
66.89
Logp:
0.74888
H Acceptors:
4
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: C₁₃H₂₁NO₄
Molecular Weight: 255.31
Synonyms: None
SMILES: O=C(O)[C@H](NC(OC(C)(C)C)=O)[C@H](C=C)C1CC1
Tpsa: 75.63
Logp: 2.1765
H Acceptors: 3
H Donors: 2
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:
C₁₃H₂₁NO₄
Molecular Weight:
255.31
Synonyms:
None
SMILES:
O=C(O)[C@H](NC(OC(C)(C)C)=O)[C@H](C=C)C1CC1
Tpsa:
75.63
Logp:
2.1765
H Acceptors:
3
H Donors:
2
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: C₁₀H₉NO
Molecular Weight: 159.18
Synonyms: None
SMILES: N#CC1=CC(C)=CC(C(C)=O)=C1
Tpsa: 40.86
Logp: 2.0693
H Acceptors: 2
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:
C₁₀H₉NO
Molecular Weight:
159.18
Synonyms:
None
SMILES:
N#CC1=CC(C)=CC(C(C)=O)=C1
Tpsa:
40.86
Logp:
2.0693
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1