CS-1048693
5-Acetyl-3-chloro-2,7-dimethylisoquinolin-1(2H)-one
Manufacturer: ChemScene
CAS Number: 3031980-61-4
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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
C₁₃H₁₂ClNO₂
Molecular Weight
249.69
Synonyms
None
SMILES
O=C1C2=CC(=CC(C(=O)C)=C2C=C(Cl)N1C)C
Tpsa
39.07
Logp
2.70292
H Acceptors
3
H Donors
0
Rotatable Bonds
1
Related Products
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: C₁₃H₁₂ClNO₂
Molecular Weight: 249.69
Synonyms: None
SMILES: O=C1C2=CC(=CC(C(=O)C)=C2C=C(Cl)N1C)C
Tpsa: 39.07
Logp: 2.70292
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:
C₁₃H₁₂ClNO₂
Molecular Weight:
249.69
Synonyms:
None
SMILES:
O=C1C2=CC(=CC(C(=O)C)=C2C=C(Cl)N1C)C
Tpsa:
39.07
Logp:
2.70292
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: C₆H₈N₂
Molecular Weight: 108.14
Synonyms: None
SMILES: C(#N)[C@H]1[C@]2([C@@]1(CNC2)[H])[H]
Tpsa: 35.82
Logp: -0.02462
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₈N₂
Molecular Weight:
108.14
Synonyms:
None
SMILES:
C(#N)[C@H]1[C@]2([C@@]1(CNC2)[H])[H]
Tpsa:
35.82
Logp:
-0.02462
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₉ClN₂
Molecular Weight: 144.60
Synonyms: None
SMILES: C(#N)[C@H]1[C@]2([C@@]1(CNC2)[H])[H].Cl
Tpsa: 35.82
Logp: 0.39718
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₉ClN₂
Molecular Weight:
144.60
Synonyms:
None
SMILES:
C(#N)[C@H]1[C@]2([C@@]1(CNC2)[H])[H].Cl
Tpsa:
35.82
Logp:
0.39718
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉BrFNO
Molecular Weight: 234.07
Synonyms: None
SMILES: FC1=C(O)C=C(CNC2)C2=C1.Br
Tpsa: 32.26
Logp: 1.7124
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉BrFNO
Molecular Weight:
234.07
Synonyms:
None
SMILES:
FC1=C(O)C=C(CNC2)C2=C1.Br
Tpsa:
32.26
Logp:
1.7124
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0